C677-0252 Screening compound: N-(3,4-dichlorophenyl)-2-{[4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

C677-0252 Screening compound: N-(3,4-dichlorophenyl)-2-{[4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
C677-0252 Screening compound: N-(3,4-dichlorophenyl)-2-{[4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C677-0252
N-(3,4-dichlorophenyl)-2-{[4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

C677-0252

Molecular Formula

C22H18Cl2FN5OS (C22 H18 Cl2 FN5 OS)

Compound Name

N-(3,4-dichlorophenyl)-2-{[4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-(34-dichlorophenyl)-2-{[4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

Cn1c(Cc(n2-c(cc3)ccc3F)nnc2SCC(Nc(cc2)cc(Cl)c2Cl)=O)ccc1

InChI

InChI=1S/C22H18Cl2FN5OS/c1-29-10-2-3-17(29)12-20-27-28-22(30(20)16-7-4-14(25)5-8-16)32-13-21(31)26-15-6-9-18(23)19(24)11-15/h2-11H,12-13H2,1H3,(H,26,31)

InChI Key

BHPYFYOXEVHTJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.339

Distribution Coefficient, logD

5.332

Water Solubility, LogSw

-5.93

Polar Surface Area

51.736

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C677-0252 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C677-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C677-0252?
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What is the minimum amount of C677-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C677-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C677-0252
  • 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 C677-0252 available by request