D321-0499 Screening compound: 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide

D321-0499 Screening compound: 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
D321-0499 Screening compound: 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D321-0499
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide

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

D321-0499

Molecular Formula

C15H14ClN5O2S2 (C15 H14 ClN5 O2 S2)

Compound Name

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide

IUPAC name

4-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]-N-[5-(methylsulfanyl)-134-thiadiazol-2-yl]butanamide

SMILES

CSc1nnc(NC(CCCc2nc(-c(cc3)ccc3Cl)no2)=O)s1

InChI

InChI=1S/C15H14ClN5O2S2/c1-24-15-20-19-14(25-15)17-11(22)3-2-4-12-18-13(21-23-12)9-5-7-10(16)8-6-9/h5-8H,2-4H2,1H3,(H,17,19,22)

InChI Key

MLVUMUXNWSVUPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.375

Distribution Coefficient, logD

4.371

Water Solubility, LogSw

-4.58

Polar Surface Area

77.365

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D321-0499 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D321-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D321-0499?
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What is the minimum amount of D321-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D321-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D321-0499
  • 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 D321-0499 available by request