C202-4107 Screening compound: ethyl 4-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(2,4-dichlorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-amido)benzoate

C202-4107 Screening compound: ethyl 4-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(2,4-dichlorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-amido)benzoate
C202-4107 Screening compound: ethyl 4-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(2,4-dichlorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-4107
ethyl 4-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(2,4-dichlorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-amido)benzoate

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

C202-4107

Molecular Formula

C29H23Cl3FN5O3S (C29 H23 Cl3 FN5 O3 S)

Compound Name

ethyl 4-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(2,4-dichlorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-amido)benzoate

IUPAC name

ethyl 4-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(24-dichlorophenyl)-5-methyl-4H7H-[124]triazolo[15-a]pyrimidine-6-amido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(C1=C(C)Nc2nc(SCc(c(F)ccc3)c3Cl)nn2C1c(ccc(Cl)c1)c1Cl)=O)=O

InChI

InChI=1S/C29H23Cl3FN5O3S/c1-3-41-27(40)16-7-10-18(11-8-16)35-26(39)24-15(2)34-28-36-29(42-14-20-21(31)5-4-6-23(20)33)37-38(28)25(24)19-12-9-17(30)13-22(19)32/h4-13,25H,3,14H2,1-2H3,(H,35,39)(H,34,36,37)/t25-/m0/s1

InChI Key

BECPXEULPQXMIZ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14731875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

646.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

8.341

Distribution Coefficient, logD

8.341

Water Solubility, LogSw

-6.48

Polar Surface Area

79.344

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

C202-4107 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C202-4107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-4107?
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What is the minimum amount of C202-4107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-4107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-4107
  • 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 C202-4107 available by request