K297-1131 Screening compound: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}ethan-1-one

K297-1131 Screening compound: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}ethan-1-one
K297-1131 Screening compound: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-1131
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}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

K297-1131

Molecular Formula

C23H21ClN6OS2 (C23 H21 ClN6 OS2)

Compound Name

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}ethan-1-one

IUPAC name

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{2-[(2-sulfanylidene-12-dihydroquinazolin-4-yl)amino]-13-thiazol-4-yl}ethan-1-one

SMILES

O=C(Cc1csc(NC(c(cccc2)c2N2)=NC2=S)n1)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C23H21ClN6OS2/c24-15-4-3-5-17(12-15)29-8-10-30(11-9-29)20(31)13-16-14-33-23(25-16)28-21-18-6-1-2-7-19(18)26-22(32)27-21/h1-7,12,14H,8-11,13H2,(H2,25,26,27,28,32)

InChI Key

XDYBPMMBQCHQNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.496

Distribution Coefficient, logD

1.841

Water Solubility, LogSw

-4.60

Polar Surface Area

59.663

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

K297-1131 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K297-1131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-1131?
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What is the minimum amount of K297-1131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-1131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-1131
  • 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 K297-1131 available by request