8012-9813 Screening compound: 2-[4-(furan-2-carbonyl)-1-phenyl-1H-pyrazole-3-carbonyl]-1,3-benzothiazole

8012-9813 Screening compound: 2-[4-(furan-2-carbonyl)-1-phenyl-1H-pyrazole-3-carbonyl]-1,3-benzothiazole
8012-9813 Screening compound: 2-[4-(furan-2-carbonyl)-1-phenyl-1H-pyrazole-3-carbonyl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9813
2-[4-(furan-2-carbonyl)-1-phenyl-1H-pyrazole-3-carbonyl]-1,3-benzothiazole

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

8012-9813

Molecular Formula

C22H13N3O3S (C22 H13 N3 O3 S)

Compound Name

2-[4-(furan-2-carbonyl)-1-phenyl-1H-pyrazole-3-carbonyl]-1,3-benzothiazole

IUPAC name

2-[4-(furan-2-carbonyl)-1-phenyl-1H-pyrazole-3-carbonyl]-13-benzothiazole

SMILES

O=C(c1cn(-c2ccccc2)nc1C(c1nc(cccc2)c2s1)=O)c1ccco1

InChI

InChI=1S/C22H13N3O3S/c26-20(17-10-6-12-28-17)15-13-25(14-7-2-1-3-8-14)24-19(15)21(27)22-23-16-9-4-5-11-18(16)29-22/h1-13H

InChI Key

BMPIZTCXBSACNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03069216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.499

Distribution Coefficient, logD

4.499

Water Solubility, LogSw

-4.60

Polar Surface Area

60.376

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8012-9813 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-9813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9813?
Check Price and Availability of 8012-9813, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8012-9813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9813
  • 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 8012-9813 available by request