K297-0618 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

K297-0618 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
K297-0618 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-0618
2-{[(2-chlorophenyl)methyl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

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

K297-0618

Molecular Formula

C24H22ClN3O3S (C24 H22 ClN3 O3 S)

Compound Name

2-{[(2-chlorophenyl)methyl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

IUPAC name

2-{[(2-chlorophenyl)methyl]sulfanyl}-N-(345-trimethoxyphenyl)quinazolin-4-amine

SMILES

COc1cc(Nc2nc(SCc(cccc3)c3Cl)nc3ccccc23)cc(OC)c1OC

InChI

InChI=1S/C24H22ClN3O3S/c1-29-20-12-16(13-21(30-2)22(20)31-3)26-23-17-9-5-7-11-19(17)27-24(28-23)32-14-15-8-4-6-10-18(15)25/h4-13H,14H2,1-3H3,(H,26,27,28)

InChI Key

IMTAHJDWSIIETH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.070

Distribution Coefficient, logD

6.070

Water Solubility, LogSw

-6.21

Polar Surface Area

49.505

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K297-0618 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K297-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-0618?
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What is the minimum amount of K297-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-0618
  • 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 K297-0618 available by request