K297-0489 Screening compound: 1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one

K297-0489 Screening compound: 1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one
K297-0489 Screening compound: 1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-0489
1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one

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

K297-0489

Molecular Formula

C26H25N3O5S (C26 H25 N3 O5 S)

Compound Name

1-(3,4-dihydroxyphenyl)-2-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one

IUPAC name

1-(34-dihydroxyphenyl)-2-[(4-{[2-(34-dimethoxyphenyl)ethyl]amino}quinazolin-2-yl)sulfanyl]ethan-1-one

SMILES

COc(ccc(CCNc1nc(SCC(c(cc2)cc(O)c2O)=O)nc2ccccc12)c1)c1OC

InChI

InChI=1S/C26H25N3O5S/c1-33-23-10-7-16(13-24(23)34-2)11-12-27-25-18-5-3-4-6-19(18)28-26(29-25)35-15-22(32)17-8-9-20(30)21(31)14-17/h3-10,13-14,30-31H,11-12,15H2,1-2H3,(H,27,28,29)

InChI Key

INNPQGWKDJYXIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.330

Distribution Coefficient, logD

4.148

Water Solubility, LogSw

-4.10

Polar Surface Area

89.295

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

K297-0489 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 K297-0489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-0489?
Check Price and Availability of K297-0489, 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 K297-0489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-0489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-0489
  • 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 K297-0489 available by request