8019-3423 Screening compound: 1-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-one

8019-3423 Screening compound: 1-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-one
8019-3423 Screening compound: 1-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3423
1-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-one

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

8019-3423

Molecular Formula

C20H14ClN3OS (C20 H14 ClN3 OS)

Compound Name

1-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-one

IUPAC name

1-(13-benzothiazol-2-yl)-6-(4-chlorophenyl)-4567-tetrahydro-1H-indazol-4-one

SMILES

O=C(CC(C1)c(cc2)ccc2Cl)c2c1n(-c1nc(cccc3)c3s1)nc2

InChI

InChI=1S/C20H14ClN3OS/c21-14-7-5-12(6-8-14)13-9-17-15(18(25)10-13)11-22-24(17)20-23-16-3-1-2-4-19(16)26-20/h1-8,11,13H,9-10H2/t13-/m0/s1

InChI Key

KWNXXGRQAAPISD-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.693

Distribution Coefficient, logD

5.693

Water Solubility, LogSw

-6.18

Polar Surface Area

36.720

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 8019-3423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3423?
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What is the minimum amount of 8019-3423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3423
  • 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 8019-3423 available by request