Y031-0370 Screening compound: 2-chloro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

Y031-0370 Screening compound: 2-chloro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Y031-0370 Screening compound: 2-chloro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0370
2-chloro-N-[5-(pentan-2-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

Y031-0370

Molecular Formula

C14H16ClN3OS (C14 H16 ClN3 OS)

Compound Name

2-chloro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

2-chloro-N-[5-(pentan-2-yl)-134-thiadiazol-2-yl]benzamide

SMILES

CCCC(C)c1nnc(NC(c(cccc2)c2Cl)=O)s1

InChI

InChI=1S/C14H16ClN3OS/c1-3-6-9(2)13-17-18-14(20-13)16-12(19)10-7-4-5-8-11(10)15/h4-5,7-9H,3,6H2,1-2H3,(H,16,18,19)/t9-/m0/s1

InChI Key

YFNGKCSIBQYZFI-VIFPVBQESA-N

MDL Number (MFCD)

MFCD06151976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.409

Distribution Coefficient, logD

2.826

Water Solubility, LogSw

-4.52

Polar Surface Area

46.875

Acid Dissociation Constant (pKa)

5.83

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

Y031-0370 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y031-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0370?
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What is the minimum amount of Y031-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0370
  • 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 Y031-0370 available by request