K289-0160 Screening compound: methyl 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate

K289-0160 Screening compound: methyl 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
K289-0160 Screening compound: methyl 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0160
methyl 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-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

K289-0160

Molecular Formula

C21H19ClN2O5S (C21 H19 ClN2 O5 S)

Compound Name

methyl 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate

IUPAC name

methyl 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-4-oxo-34-dihydroquinazoline-7-carboxylate

SMILES

COCCN1C(SCC(c(cc2)ccc2Cl)=O)=Nc(cc(cc2)C(OC)=O)c2C1=O

InChI

InChI=1S/C21H19ClN2O5S/c1-28-10-9-24-19(26)16-8-5-14(20(27)29-2)11-17(16)23-21(24)30-12-18(25)13-3-6-15(22)7-4-13/h3-8,11H,9-10,12H2,1-2H3

InChI Key

GIMNBQOBLORVNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15091332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.91

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.398

Distribution Coefficient, logD

3.398

Water Solubility, LogSw

-3.94

Polar Surface Area

68.784

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

K289-0160 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K289-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0160?
Check Price and Availability of K289-0160, 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 K289-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0160
  • 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 K289-0160 available by request