8011-6504 Screening compound: 1-[4-(1,3-benzothiazol-2-ylcarbonyl)-1-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-ethanone

8011-6504 Screening compound: 1-[4-(1,3-benzothiazol-2-ylcarbonyl)-1-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-ethanone
8011-6504 Screening compound: 1-[4-(1,3-benzothiazol-2-ylcarbonyl)-1-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6504
1-[4-(1,3-benzothiazol-2-ylcarbonyl)-1-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-ethanone

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

8011-6504

Molecular Formula

C19H12ClN3O2S (C19 H12 ClN3 O2 S)

Compound Name

1-[4-(1,3-benzothiazol-2-ylcarbonyl)-1-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-ethanone

IUPAC name

1-[4-(13-benzothiazole-2-carbonyl)-1-(4-chlorophenyl)-1H-pyrazol-3-yl]ethan-1-one

SMILES

CC(c(c(C(c1nc(cccc2)c2s1)=O)c1)nn1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C19H12ClN3O2S/c1-11(24)17-14(10-23(22-17)13-8-6-12(20)7-9-13)18(25)19-21-15-4-2-3-5-16(15)26-19/h2-10H,1H3

InChI Key

NLUXJLHEYYPUNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.452

Distribution Coefficient, logD

4.452

Water Solubility, LogSw

-4.76

Polar Surface Area

52.157

Acid Dissociation Constant (pKa)

17.90

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.26

References: we are preparing a list of scientific research reports with 8011-6504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6504?
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What is the minimum amount of 8011-6504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6504
  • 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 8011-6504 available by request