2357-3616 Screening compound: 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide

2357-3616 Screening compound: 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide
2357-3616 Screening compound: 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2357-3616
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-nitrophenyl)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

2357-3616

Molecular Formula

C25H22N6O5S (C25 H22 N6 O5 S)

Compound Name

2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide

IUPAC name

2-{[5-(34-dimethoxyphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide

SMILES

COc(ccc(-c(n1-c2ccccc2)nnc1SCC(N/N=C/c1cc([N+]([O-])=O)ccc1)=O)c1)c1OC

InChI

InChI=1S/C25H22N6O5S/c1-35-21-12-11-18(14-22(21)36-2)24-28-29-25(30(24)19-8-4-3-5-9-19)37-16-23(32)27-26-15-17-7-6-10-20(13-17)31(33)34/h3-15H,16H2,1-2H3,(H,27,32)

InChI Key

PXRCWXWQWMMTIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01116590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.088

Distribution Coefficient, logD

4.088

Water Solubility, LogSw

-4.36

Polar Surface Area

108.729

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

2357-3616 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 2357-3616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2357-3616?
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What is the minimum amount of 2357-3616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2357-3616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2357-3616
  • 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 2357-3616 available by request