C445-0232 Screening compound: 1-[2-(5-{[(2-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole

C445-0232 Screening compound: 1-[2-(5-{[(2-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole
C445-0232 Screening compound: 1-[2-(5-{[(2-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0232
1-[2-(5-{[(2-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole

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

C445-0232

Molecular Formula

C25H25ClN6O2S (C25 H25 ClN6 O2 S)

Compound Name

1-[2-(5-{[(2-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole

IUPAC name

1-[2-(5-{[(2-chlorophenyl)methyl]sulfanyl}-89-dimethoxy-[124]triazolo[15-c]quinazolin-2-yl)ethyl]-35-dimethyl-1H-pyrazole

SMILES

Cc1cc(C)nn1CCc1nn2c(SCc(cccc3)c3Cl)nc(cc(c(OC)c3)OC)c3c2n1

InChI

InChI=1S/C25H25ClN6O2S/c1-15-11-16(2)31(29-15)10-9-23-28-24-18-12-21(33-3)22(34-4)13-20(18)27-25(32(24)30-23)35-14-17-7-5-6-8-19(17)26/h5-8,11-13H,9-10,14H2,1-4H3

InChI Key

KFLZEHLWSVLBBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

4.083

Water Solubility, LogSw

-4.46

Polar Surface Area

60.034

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C445-0232 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C445-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0232?
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What is the minimum amount of C445-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0232
  • 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 C445-0232 available by request