1593-0396 Screening compound: 2,4-dichloro-N-[5-(heptan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide

1593-0396 Screening compound: 2,4-dichloro-N-[5-(heptan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide
1593-0396 Screening compound: 2,4-dichloro-N-[5-(heptan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1593-0396
2,4-dichloro-N-[5-(heptan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide

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

1593-0396

Molecular Formula

C16H19Cl2N3OS (C16 H19 Cl2 N3 OS)

Compound Name

2,4-dichloro-N-[5-(heptan-3-yl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

24-dichloro-N-[5-(heptan-3-yl)-134-thiadiazol-2-yl]benzamide

SMILES

CCCCC(CC)c1nnc(NC(c(ccc(Cl)c2)c2Cl)=O)s1

InChI

InChI=1S/C16H19Cl2N3OS/c1-3-5-6-10(4-2)15-20-21-16(23-15)19-14(22)12-8-7-11(17)9-13(12)18/h7-10H,3-6H2,1-2H3,(H,19,21,22)/t10-/m0/s1

InChI Key

BFLUTOJINMPYSW-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01079857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.170

Distribution Coefficient, logD

3.658

Water Solubility, LogSw

-6.16

Polar Surface Area

46.875

Acid Dissociation Constant (pKa)

4.89

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

1593-0396 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1593-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1593-0396?
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What is the minimum amount of 1593-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1593-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1593-0396
  • 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 1593-0396 available by request