C677-0102 Screening compound: N-(4-bromophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

C677-0102 Screening compound: N-(4-bromophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
C677-0102 Screening compound: N-(4-bromophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C677-0102
N-(4-bromophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(4-methylphenyl)-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

C677-0102

Molecular Formula

C23H22BrN5OS (C23 H22 BrN5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n1c(SCC(Nc(cc2)ccc2Br)=O)nnc1Cc1cccn1C

InChI

InChI=1S/C23H22BrN5OS/c1-16-5-11-19(12-6-16)29-21(14-20-4-3-13-28(20)2)26-27-23(29)31-15-22(30)25-18-9-7-17(24)8-10-18/h3-13H,14-15H2,1-2H3,(H,25,30)

InChI Key

AGZPFCJCWNHZMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.43

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

5.093

Distribution Coefficient, logD

5.093

Water Solubility, LogSw

-4.83

Polar Surface Area

51.736

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with C677-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C677-0102?
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What is the minimum amount of C677-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C677-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C677-0102
  • 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 C677-0102 available by request