C301-7902 Screening compound: N-{5-[(1H-1,3-benzodiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-3,4-dimethoxybenzamide

C301-7902 Screening compound: N-{5-[(1H-1,3-benzodiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-3,4-dimethoxybenzamide
C301-7902 Screening compound: N-{5-[(1H-1,3-benzodiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7902
N-{5-[(1H-1,3-benzodiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-3,4-dimethoxybenzamide

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

C301-7902

Molecular Formula

C19H17N5O3S (C19 H17 N5 O3 S)

Compound Name

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

IUPAC name

N-{5-[(1H-13-benzodiazol-2-yl)methyl]-134-thiadiazol-2-yl}-34-dimethoxybenzamide

SMILES

COc(ccc(C(Nc1nnc(Cc2nc(cccc3)c3[nH]2)s1)=O)c1)c1OC

InChI

InChI=1S/C19H17N5O3S/c1-26-14-8-7-11(9-15(14)27-2)18(25)22-19-24-23-17(28-19)10-16-20-12-5-3-4-6-13(12)21-16/h3-9H,10H2,1-2H3,(H,20,21)(H,22,24,25)

InChI Key

BZVWTNKJHJSKLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.244

Distribution Coefficient, logD

2.484

Water Solubility, LogSw

-3.64

Polar Surface Area

82.641

Acid Dissociation Constant (pKa)

8.15

Base Dissociation Constant (pKb)

8.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C301-7902 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-7902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7902?
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What is the minimum amount of C301-7902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7902
  • 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 C301-7902 available by request