D319-0831 Screening compound: N-[(2-chlorophenyl)methyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide

D319-0831 Screening compound: N-[(2-chlorophenyl)methyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
D319-0831 Screening compound: N-[(2-chlorophenyl)methyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0831
N-[(2-chlorophenyl)methyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide

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

D319-0831

Molecular Formula

C11H10ClN3OS (C11 H10 ClN3 OS)

Compound Name

N-[(2-chlorophenyl)methyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-4-methyl-123-thiadiazole-5-carboxamide

SMILES

Cc1c(C(NCc(cccc2)c2Cl)=O)snn1

InChI

InChI=1S/C11H10ClN3OS/c1-7-10(17-15-14-7)11(16)13-6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,13,16)

InChI Key

LIYSDTAJUWRYCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07194794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.479

Distribution Coefficient, logD

2.478

Water Solubility, LogSw

-3.17

Polar Surface Area

47.095

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D319-0831 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D319-0831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0831?
Check Price and Availability of D319-0831, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D319-0831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0831
  • 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 D319-0831 available by request