1927-7422 Screening compound: 4-[(E)-[(3,5-dibromo-2-methoxyphenyl)methylidene]amino]-5-phenyl-4H-1,2,4-triazole-3-thiol

1927-7422 Screening compound: 4-[(E)-[(3,5-dibromo-2-methoxyphenyl)methylidene]amino]-5-phenyl-4H-1,2,4-triazole-3-thiol
1927-7422 Screening compound: 4-[(E)-[(3,5-dibromo-2-methoxyphenyl)methylidene]amino]-5-phenyl-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1927-7422
4-[(E)-[(3,5-dibromo-2-methoxyphenyl)methylidene]amino]-5-phenyl-4H-1,2,4-triazole-3-thiol

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

1927-7422

Molecular Formula

C16H12Br2N4OS (C16 H12 Br2 N4 OS)

Compound Name

4-[(E)-[(3,5-dibromo-2-methoxyphenyl)methylidene]amino]-5-phenyl-4H-1,2,4-triazole-3-thiol

IUPAC name

4-[(E)-[(35-dibromo-2-methoxyphenyl)methylidene]amino]-5-phenyl-4H-124-triazole-3-thiol

SMILES

COc(c(/C=N/n1c(S)nnc1-c1ccccc1)cc(Br)c1)c1Br

InChI

InChI=1S/C16H12Br2N4OS/c1-23-14-11(7-12(17)8-13(14)18)9-19-22-15(20-21-16(22)24)10-5-3-2-4-6-10/h2-9H,1H3,(H,21,24)

InChI Key

MBZWDDRBXCMJBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00659866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.17

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.865

Distribution Coefficient, logD

3.865

Water Solubility, LogSw

-4.71

Polar Surface Area

41.796

Acid Dissociation Constant (pKa)

6.44

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1927-7422 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Carbonic Anhydrase II Library (4939 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1927-7422 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1927-7422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1927-7422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1927-7422
  • 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 1927-7422 available by request