K297-0616 Screening compound: 1-(4-chlorophenyl)-2-({4-[(3,4,5-trimethoxyphenyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one

K297-0616 Screening compound: 1-(4-chlorophenyl)-2-({4-[(3,4,5-trimethoxyphenyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one
K297-0616 Screening compound: 1-(4-chlorophenyl)-2-({4-[(3,4,5-trimethoxyphenyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-0616
1-(4-chlorophenyl)-2-({4-[(3,4,5-trimethoxyphenyl)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

K297-0616

Molecular Formula

C25H22ClN3O4S (C25 H22 ClN3 O4 S)

Compound Name

1-(4-chlorophenyl)-2-({4-[(3,4,5-trimethoxyphenyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one

IUPAC name

1-(4-chlorophenyl)-2-({4-[(345-trimethoxyphenyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one

SMILES

COc1cc(Nc2nc(SCC(c(cc3)ccc3Cl)=O)nc3ccccc23)cc(OC)c1OC

InChI

InChI=1S/C25H22ClN3O4S/c1-31-21-12-17(13-22(32-2)23(21)33-3)27-24-18-6-4-5-7-19(18)28-25(29-24)34-14-20(30)15-8-10-16(26)11-9-15/h4-13H,14H2,1-3H3,(H,27,28,29)

InChI Key

GKQVWUIYMPAASS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.531

Distribution Coefficient, logD

5.531

Water Solubility, LogSw

-6.08

Polar Surface Area

62.752

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

K297-0616 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K297-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-0616?
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What is the minimum amount of K297-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-0616
  • 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 K297-0616 available by request