C301-7855 Screening compound: N-{5-[(1,3-benzothiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide

C301-7855 Screening compound: N-{5-[(1,3-benzothiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide
C301-7855 Screening compound: N-{5-[(1,3-benzothiazol-2-yl)methyl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7855
N-{5-[(1,3-benzothiazol-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

C301-7855

Molecular Formula

C18H14N4OS2 (C18 H14 N4 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(Nc1nnc(Cc2nc(cccc3)c3s2)s1)=O

InChI

InChI=1S/C18H14N4OS2/c1-11-6-8-12(9-7-11)17(23)20-18-22-21-16(25-18)10-15-19-13-4-2-3-5-14(13)24-15/h2-9H,10H2,1H3,(H,20,22,23)

InChI Key

RTBVDJCUWHXEAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.47

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

4.725

Distribution Coefficient, logD

4.277

Water Solubility, LogSw

-4.53

Polar Surface Area

57.314

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C301-7855 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-7855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7855?
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What is the minimum amount of C301-7855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7855
  • 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 C301-7855 available by request