3113-0013 Screening compound: N-[4-acetyl-5-(3-chlorophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide

3113-0013 Screening compound: N-[4-acetyl-5-(3-chlorophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
3113-0013 Screening compound: N-[4-acetyl-5-(3-chlorophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3113-0013
N-[4-acetyl-5-(3-chlorophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide

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

3113-0013

Molecular Formula

C12H12ClN3O2S (C12 H12 ClN3 O2 S)

Compound Name

N-[4-acetyl-5-(3-chlorophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide

IUPAC name

N-[4-acetyl-5-(3-chlorophenyl)-45-dihydro-134-thiadiazol-2-yl]acetamide

SMILES

CC(NC(SC1c2cccc(Cl)c2)=NN1C(C)=O)=O

InChI

InChI=1S/C12H12ClN3O2S/c1-7(17)14-12-15-16(8(2)18)11(19-12)9-4-3-5-10(13)6-9/h3-6,11H,1-2H3,(H,14,15,17)/t11-/m0/s1

InChI Key

IGFWVPHVBKMHPC-NSHDSACASA-N

MDL Number (MFCD)

MFCD02049719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.334

Distribution Coefficient, logD

2.288

Water Solubility, LogSw

-3.39

Polar Surface Area

51.143

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

3113-0013 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 3113-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3113-0013?
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What is the minimum amount of 3113-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3113-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3113-0013
  • 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 3113-0013 available by request