K289-0415 Screening compound: methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate

K289-0415 Screening compound: methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
K289-0415 Screening compound: methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0415
methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K289-0415

Molecular Formula

C28H31N3O5S (C28 H31 N3 O5 S)

Compound Name

methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate

IUPAC name

methyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-34-dihydroquinazoline-7-carboxylate

SMILES

CCOc(cc1)ccc1NC(CSC(N1CCC2=CCCCC2)=Nc(cc(cc2)C(OC)=O)c2C1=O)=O

InChI

InChI=1S/C28H31N3O5S/c1-3-36-22-12-10-21(11-13-22)29-25(32)18-37-28-30-24-17-20(27(34)35-2)9-14-23(24)26(33)31(28)16-15-19-7-5-4-6-8-19/h7,9-14,17H,3-6,8,15-16,18H2,1-2H3,(H,29,32)

InChI Key

SGUSKAVUOZTHPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.181

Distribution Coefficient, logD

5.181

Water Solubility, LogSw

-4.93

Polar Surface Area

77.388

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

K289-0415 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K289-0415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0415?
Check Price and Availability of K289-0415, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K289-0415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0415
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K289-0415 available by request