K221-2539 Screening compound: methyl 3-[5-({3-[ethyl(phenyl)amino]propyl}carbamoyl)pentyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate

K221-2539 Screening compound: methyl 3-[5-({3-[ethyl(phenyl)amino]propyl}carbamoyl)pentyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
K221-2539 Screening compound: methyl 3-[5-({3-[ethyl(phenyl)amino]propyl}carbamoyl)pentyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-2539
methyl 3-[5-({3-[ethyl(phenyl)amino]propyl}carbamoyl)pentyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-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

K221-2539

Molecular Formula

C27H34N4O5 (C27 H34 N4 O5)

Compound Name

methyl 3-[5-({3-[ethyl(phenyl)amino]propyl}carbamoyl)pentyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate

IUPAC name

methyl 3-[5-({3-[ethyl(phenyl)amino]propyl}carbamoyl)pentyl]-24-dioxo-1234-tetrahydroquinazoline-7-carboxylate

SMILES

CCN(CCCNC(CCCCCN(C(c(ccc(C(OC)=O)c1)c1N1)=O)C1=O)=O)c1ccccc1

InChI

InChI=1S/C27H34N4O5/c1-3-30(21-11-6-4-7-12-21)17-10-16-28-24(32)13-8-5-9-18-31-25(33)22-15-14-20(26(34)36-2)19-23(22)29-27(31)35/h4,6-7,11-12,14-15,19H,3,5,8-10,13,16-18H2,1-2H3,(H,28,32)(H,29,35)

InChI Key

PTSDPFBJJVGTPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.630

Distribution Coefficient, logD

3.598

Water Solubility, LogSw

-3.79

Polar Surface Area

88.935

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

K221-2539 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K221-2539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-2539?
Check Price and Availability of K221-2539, 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 K221-2539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-2539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-2539
  • 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 K221-2539 available by request