D376-0439 Screening compound: 2-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide

D376-0439 Screening compound: 2-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
D376-0439 Screening compound: 2-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D376-0439
2-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-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

D376-0439

Molecular Formula

C15H13ClN4O2S2 (C15 H13 ClN4 O2 S2)

Compound Name

2-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide

IUPAC name

2-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-N-(134-thiadiazol-2-yl)-13-thiazole-5-carboxamide

SMILES

Cc1c(C(Nc2nncs2)=O)sc(COc(cc2)cc(C)c2Cl)n1

InChI

InChI=1S/C15H13ClN4O2S2/c1-8-5-10(3-4-11(8)16)22-6-12-18-9(2)13(24-12)14(21)19-15-20-17-7-23-15/h3-5,7H,6H2,1-2H3,(H,19,20,21)

InChI Key

VYUPSXUKIISJMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09540918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.024

Distribution Coefficient, logD

3.840

Water Solubility, LogSw

-4.31

Polar Surface Area

65.210

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D376-0439 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D376-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D376-0439?
Check Price and Availability of D376-0439, 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 D376-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D376-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D376-0439
  • 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 D376-0439 available by request