C650-0153 Screening compound: 4-({[9-(2-fluorophenyl)-8-oxo-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-2-yl]sulfanyl}methyl)benzoic acid

C650-0153 Screening compound: 4-({[9-(2-fluorophenyl)-8-oxo-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-2-yl]sulfanyl}methyl)benzoic acid
C650-0153 Screening compound: 4-({[9-(2-fluorophenyl)-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 C650-0153
4-({[9-(2-fluorophenyl)-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

C650-0153

Molecular Formula

C23H19FN4O3S (C23 H19 FN4 O3 S)

Compound Name

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

SMILES

OC(c1ccc(CSc2nn(C(c(cccc3)c3F)C(C(CCC3)=O)=C3N3)c3n2)cc1)=O

InChI

InChI=1S/C23H19FN4O3S/c24-16-5-2-1-4-15(16)20-19-17(6-3-7-18(19)29)25-22-26-23(27-28(20)22)32-12-13-8-10-14(11-9-13)21(30)31/h1-2,4-5,8-11,20H,3,6-7,12H2,(H,30,31)(H,25,26,27)/t20-/m0/s1

InChI Key

IHQILGVLZHKIIZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14779409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.377

Distribution Coefficient, logD

1.406

Water Solubility, LogSw

-4.40

Polar Surface Area

77.475

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

C650-0153 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C650-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C650-0153?
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What is the minimum amount of C650-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C650-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C650-0153
  • 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 C650-0153 available by request