1067-0401 Screening compound: N-[5-({N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide

1067-0401 Screening compound: N-[5-({N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
1067-0401 Screening compound: N-[5-({N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1067-0401
N-[5-({N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide

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

1067-0401

Molecular Formula

C19H16BrN5O3S (C19 H16 BrN5 O3 S)

Compound Name

N-[5-({N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide

IUPAC name

N-[5-({N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-134-thiadiazol-2-yl]-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(Nc1nnc(CC(N/N=C\c(cc(cc2)Br)c2O)=O)s1)=O

InChI

InChI=1S/C19H16BrN5O3S/c1-11-2-4-12(5-3-11)18(28)22-19-25-24-17(29-19)9-16(27)23-21-10-13-8-14(20)6-7-15(13)26/h2-8,10,26H,9H2,1H3,(H,23,27)(H,22,25,28)

InChI Key

ZAKCSXWGNREIOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.168

Distribution Coefficient, logD

3.719

Water Solubility, LogSw

-3.95

Polar Surface Area

99.020

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

1067-0401 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1067-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1067-0401?
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What is the minimum amount of 1067-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1067-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1067-0401
  • 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 1067-0401 available by request