C301-7799 Screening compound: N-{5-[(1H-1,3-benzodiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide

C301-7799 Screening compound: N-{5-[(1H-1,3-benzodiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide
C301-7799 Screening compound: N-{5-[(1H-1,3-benzodiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7799
N-{5-[(1H-1,3-benzodiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide

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

C301-7799

Molecular Formula

C18H15N5OS (C18 H15 N5 OS)

Compound Name

N-{5-[(1H-1,3-benzodiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide

IUPAC name

N-{5-[(1H-13-benzodiazol-2-yl)methyl]-134-thiadiazol-2-yl}-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(Nc1nnc(Cc2nc(cccc3)c3[nH]2)s1)=O

InChI

InChI=1S/C18H15N5OS/c1-11-6-8-12(9-7-11)17(24)21-18-23-22-16(25-18)10-15-19-13-4-2-3-5-14(13)20-15/h2-9H,10H2,1H3,(H,19,20)(H,21,23,24)

InChI Key

KLCCUHKBVJIZLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09039965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.043

Distribution Coefficient, logD

4.043

Water Solubility, LogSw

-4.20

Polar Surface Area

67.380

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C301-7799 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

Antibacterial Compounds Library (13827 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-7799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7799?
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What is the minimum amount of C301-7799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7799
  • 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 C301-7799 available by request