C202-2782 Screening compound: 4-(2-{[(3-fluorophenyl)methyl]sulfanyl}-6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid

C202-2782 Screening compound: 4-(2-{[(3-fluorophenyl)methyl]sulfanyl}-6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid
C202-2782 Screening compound: 4-(2-{[(3-fluorophenyl)methyl]sulfanyl}-6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2782
4-(2-{[(3-fluorophenyl)methyl]sulfanyl}-6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)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

C202-2782

Molecular Formula

C28H24FN5O4S (C28 H24 FN5 O4 S)

Compound Name

4-(2-{[(3-fluorophenyl)methyl]sulfanyl}-6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid

IUPAC name

4-(2-{[(3-fluorophenyl)methyl]sulfanyl}-6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4H7H-[124]triazolo[15-a]pyrimidin-7-yl)benzoic acid

SMILES

CC(Nc1nc(SCc2cc(F)ccc2)nn1C1c(cc2)ccc2C(O)=O)=C1C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C28H24FN5O4S/c1-16-23(25(35)31-21-8-3-4-9-22(21)38-2)24(18-10-12-19(13-11-18)26(36)37)34-27(30-16)32-28(33-34)39-15-17-6-5-7-20(29)14-17/h3-14,24H,15H2,1-2H3,(H,31,35)(H,36,37)(H,30,32,33)/t24-/m0/s1

InChI Key

DKZNKNQXMRAQCF-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14731257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.486

Distribution Coefficient, logD

2.515

Water Solubility, LogSw

-5.35

Polar Surface Area

93.931

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

C202-2782 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C202-2782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2782?
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What is the minimum amount of C202-2782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2782
  • 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 C202-2782 available by request