3254-1641 Screening compound: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene]acetohydrazide

3254-1641 Screening compound: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene]acetohydrazide
3254-1641 Screening compound: 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-1641
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene]acetohydrazide

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

3254-1641

Molecular Formula

C30H31N5O2S (C30 H31 N5 O2 S)

Compound Name

2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene]acetohydrazide

IUPAC name

2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-N'-[(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene]acetohydrazide

SMILES

CC(C)(C)c(cc1)ccc1-c(n1-c2ccccc2)nnc1SCC(N/N=C/c(cccc1CC=C)c1O)=O

InChI

InChI=1S/C30H31N5O2S/c1-5-10-21-11-9-12-23(27(21)37)19-31-32-26(36)20-38-29-34-33-28(35(29)25-13-7-6-8-14-25)22-15-17-24(18-16-22)30(2,3)4/h5-9,11-19,37H,1,10,20H2,2-4H3,(H,32,36)

InChI Key

QHLMCQRYCCDVGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03220950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.401

Distribution Coefficient, logD

7.401

Water Solubility, LogSw

-5.69

Polar Surface Area

75.566

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3254-1641 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 3254-1641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-1641?
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What is the minimum amount of 3254-1641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-1641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-1641
  • 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 3254-1641 available by request