2357-3376 Screening compound: 2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide

2357-3376 Screening compound: 2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
2357-3376 Screening compound: 2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2357-3376
2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)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

2357-3376

Molecular Formula

C20H21BrN6OS (C20 H21 BrN6 OS)

Compound Name

2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide

IUPAC name

2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-124-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide

SMILES

CC(Cn1c(SCC(N/N=C/c2cccn2C)=O)nnc1-c(cc1)ccc1Br)=C

InChI

InChI=1S/C20H21BrN6OS/c1-14(2)12-27-19(15-6-8-16(21)9-7-15)24-25-20(27)29-13-18(28)23-22-11-17-5-4-10-26(17)3/h4-11H,1,12-13H2,2-3H3,(H,23,28)

InChI Key

INXNRODXQSHIHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.100

Distribution Coefficient, logD

5.100

Water Solubility, LogSw

-4.80

Polar Surface Area

62.512

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2357-3376 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2357-3376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2357-3376?
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What is the minimum amount of 2357-3376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2357-3376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2357-3376
  • 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 2357-3376 available by request