D178-0146 Screening compound: 2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

D178-0146 Screening compound: 2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
D178-0146 Screening compound: 2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D178-0146
2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic 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

D178-0146

Molecular Formula

C16H12BrN3O2S (C16 H12 BrN3 O2 S)

Compound Name

2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

IUPAC name

2-{[5-(4-bromophenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}acetic acid

SMILES

OC(CSc1nnc(-c(cc2)ccc2Br)n1-c1ccccc1)=O

InChI

InChI=1S/C16H12BrN3O2S/c17-12-8-6-11(7-9-12)15-18-19-16(23-10-14(21)22)20(15)13-4-2-1-3-5-13/h1-9H,10H2,(H,21,22)

InChI Key

ZAQSTLVVSHXJNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04036655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.589

Distribution Coefficient, logD

0.297

Water Solubility, LogSw

-3.71

Polar Surface Area

53.368

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D178-0146 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D178-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D178-0146?
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What is the minimum amount of D178-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D178-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D178-0146
  • 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 D178-0146 available by request