1067-0654 Screening compound: N-[5-({N'-[(E)-(2,4-dichlorophenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide

1067-0654 Screening compound: N-[5-({N'-[(E)-(2,4-dichlorophenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
1067-0654 Screening compound: N-[5-({N'-[(E)-(2,4-dichlorophenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1067-0654
N-[5-({N'-[(E)-(2,4-dichlorophenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide

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

1067-0654

Molecular Formula

C19H15Cl2N5O3S (C19 H15 Cl2 N5 O3 S)

Compound Name

N-[5-({N'-[(E)-(2,4-dichlorophenyl)methylidene]hydrazinecarbonyl}methyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide

IUPAC name

N-[5-({N'-[(E)-(24-dichlorophenyl)methylidene]hydrazinecarbonyl}methyl)-134-thiadiazol-2-yl]-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(Nc1nnc(CC(N/N=C/c(ccc(Cl)c2)c2Cl)=O)s1)=O

InChI

InChI=1S/C19H15Cl2N5O3S/c1-29-14-6-3-11(4-7-14)18(28)23-19-26-25-17(30-19)9-16(27)24-22-10-12-2-5-13(20)8-15(12)21/h2-8,10H,9H2,1H3,(H,24,27)(H,23,26,28)

InChI Key

MJJYTNKVYVOEPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00682082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.612

Distribution Coefficient, logD

4.378

Water Solubility, LogSw

-4.76

Polar Surface Area

90.016

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

1067-0654 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Frequent Hitters Library (7624 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
  • Pool
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1067-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1067-0654?
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What is the minimum amount of 1067-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1067-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1067-0654
  • 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 1067-0654 available by request