C650-0037 Screening compound: 4-({[9-(2-nitrophenyl)-8-oxo-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-2-yl]sulfanyl}methyl)benzoic acid

C650-0037 Screening compound: 4-({[9-(2-nitrophenyl)-8-oxo-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-2-yl]sulfanyl}methyl)benzoic acid
C650-0037 Screening compound: 4-({[9-(2-nitrophenyl)-8-oxo-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-2-yl]sulfanyl}methyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C650-0037
4-({[9-(2-nitrophenyl)-8-oxo-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-2-yl]sulfanyl}methyl)benzoic acid

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

C650-0037

Molecular Formula

C23H19N5O5S (C23 H19 N5 O5 S)

Compound Name

4-({[9-(2-nitrophenyl)-8-oxo-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-2-yl]sulfanyl}methyl)benzoic acid

IUPAC name

4-({[9-(2-nitrophenyl)-8-oxo-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-2-yl]sulfanyl}methyl)benzoic acid

SMILES

[O-][N+](c1c(C(C(C(CCC2)=O)=C2Nc2n3)n2nc3SCc(cc2)ccc2C(O)=O)cccc1)=O

InChI

InChI=1S/C23H19N5O5S/c29-18-7-3-5-16-19(18)20(15-4-1-2-6-17(15)28(32)33)27-22(24-16)25-23(26-27)34-12-13-8-10-14(11-9-13)21(30)31/h1-2,4,6,8-11,20H,3,5,7,12H2,(H,30,31)(H,24,25,26)/t20-/m0/s1

InChI Key

LZUGJYKVCSWBDC-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14779381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.009

Distribution Coefficient, logD

1.038

Water Solubility, LogSw

-4.30

Polar Surface Area

110.555

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

C650-0037 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C650-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C650-0037?
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What is the minimum amount of C650-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C650-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C650-0037
  • 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 C650-0037 available by request