5628-0821 Screening compound: 5-chloro-2-methoxy-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

5628-0821 Screening compound: 5-chloro-2-methoxy-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
5628-0821 Screening compound: 5-chloro-2-methoxy-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5628-0821
5-chloro-2-methoxy-N-[5-(propan-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

5628-0821

Molecular Formula

C13H14ClN3O2S (C13 H14 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1nnc(NC(c(cc(cc2)Cl)c2OC)=O)s1

InChI

InChI=1S/C13H14ClN3O2S/c1-7(2)12-16-17-13(20-12)15-11(18)9-6-8(14)4-5-10(9)19-3/h4-7H,1-3H3,(H,15,17,18)

InChI Key

LYPLHHRZSFVCLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03616277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.763

Distribution Coefficient, logD

0.950

Water Solubility, LogSw

-4.28

Polar Surface Area

54.505

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

5628-0821 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with 5628-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5628-0821?
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What is the minimum amount of 5628-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5628-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5628-0821
  • 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 5628-0821 available by request