C677-0134 Screening compound: N-[(4-fluorophenyl)methyl]-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

C677-0134 Screening compound: N-[(4-fluorophenyl)methyl]-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
C677-0134 Screening compound: N-[(4-fluorophenyl)methyl]-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 C677-0134
N-[(4-fluorophenyl)methyl]-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

C677-0134

Molecular Formula

C24H24FN5OS (C24 H24 FN5 OS)

Compound Name

N-[(4-fluorophenyl)methyl]-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-fluorophenyl)methyl]-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(NCc(cc2)ccc2F)=O)nnc1Cc1cccn1C

InChI

InChI=1S/C24H24FN5OS/c1-17-5-11-20(12-6-17)30-22(14-21-4-3-13-29(21)2)27-28-24(30)32-16-23(31)26-15-18-7-9-19(25)10-8-18/h3-13H,14-16H2,1-2H3,(H,26,31)

InChI Key

WPHMEGVDDIRUHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.969

Distribution Coefficient, logD

3.969

Water Solubility, LogSw

-3.97

Polar Surface Area

53.058

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C677-0134 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C677-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C677-0134?
Check Price and Availability of C677-0134, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C677-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C677-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C677-0134
  • 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 C677-0134 available by request