K250-0037 Screening compound: N~3~-benzyl-6-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}[1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide

K250-0037 Screening compound: N~3~-benzyl-6-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}[1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide
K250-0037 Screening compound: N~3~-benzyl-6-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}[1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K250-0037
N~3~-benzyl-6-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}[1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide

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

K250-0037

Molecular Formula

C31H21ClN6O2S (C31 H21 ClN6 O2 S)

Compound Name

N~3~-benzyl-6-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}[1,3]benzimidazo[1,2-c]quinazoline-3-carboxamide

IUPAC name

N-benzyl-9-[({7-chloro-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-81017-triazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(17)246811(16)1214-octaene-5-carboxamide

SMILES

O=C(c(cc1)cc2c1c1nc(cccc3)c3n1c(SCC(N=C(C=C1)N3C=C1Cl)=CC3=O)n2)NCc1ccccc1

InChI

InChI=1S/C31H21ClN6O2S/c32-21-11-13-27-34-22(15-28(39)37(27)17-21)18-41-31-36-25-14-20(30(40)33-16-19-6-2-1-3-7-19)10-12-23(25)29-35-24-8-4-5-9-26(24)38(29)31/h1-15,17H,16,18H2,(H,33,40)

InChI Key

NWMWVIWPOGUNTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.07

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.200

Distribution Coefficient, logD

5.199

Water Solubility, LogSw

-5.90

Polar Surface Area

67.737

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.50

K250-0037 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

DGK Inhibitors Library (10558 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K250-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K250-0037?
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What is the minimum amount of K250-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K250-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K250-0037
  • 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 K250-0037 available by request