3254-1575 Screening compound: 2-[(E)-[(2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]benzoic acid

3254-1575 Screening compound: 2-[(E)-[(2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]benzoic acid
3254-1575 Screening compound: 2-[(E)-[(2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-1575
2-[(E)-[(2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]benzoic 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

3254-1575

Molecular Formula

C28H27N5O3S (C28 H27 N5 O3 S)

Compound Name

2-[(E)-[(2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]benzoic acid

IUPAC name

2-[(E)-[(2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}acetamido)imino]methyl]benzoic acid

SMILES

CC(C)(C)c(cc1)ccc1-c(n1-c2ccccc2)nnc1SCC(N/N=C/c(cccc1)c1C(O)=O)=O

InChI

InChI=1S/C28H27N5O3S/c1-28(2,3)21-15-13-19(14-16-21)25-31-32-27(33(25)22-10-5-4-6-11-22)37-18-24(34)30-29-17-20-9-7-8-12-23(20)26(35)36/h4-17H,18H2,1-3H3,(H,30,34)(H,35,36)

InChI Key

LGJJUADKCVXPBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02224462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.171

Distribution Coefficient, logD

2.751

Water Solubility, LogSw

-5.30

Polar Surface Area

88.495

Acid Dissociation Constant (pKa)

3.98

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

3254-1575 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 3254-1575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-1575?
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What is the minimum amount of 3254-1575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-1575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-1575
  • 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 3254-1575 available by request