J094-0095 Screening compound: 1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-4-(2-nitrophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J094-0095 Screening compound: 1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-4-(2-nitrophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J094-0095 Screening compound: 1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-4-(2-nitrophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J094-0095
1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-4-(2-nitrophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-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

J094-0095

Molecular Formula

C20H14BrN5O3S (C20 H14 BrN5 O3 S)

Compound Name

1-(6-bromo-1,3-benzothiazol-2-yl)-3-methyl-4-(2-nitrophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-(6-bromo-13-benzothiazol-2-yl)-3-methyl-4-(2-nitrophenyl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)c(cccc2)c2[N+]([O-])=O)c2NC1=O)nn2-c1nc(ccc(Br)c2)c2s1

InChI

InChI=1S/C20H14BrN5O3S/c1-10-18-13(12-4-2-3-5-15(12)26(28)29)9-17(27)23-19(18)25(24-10)20-22-14-7-6-11(21)8-16(14)30-20/h2-8,13H,9H2,1H3,(H,23,27)/t13-/m0/s1

InChI Key

LUYXSRBKBWZQBB-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15080720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.602

Distribution Coefficient, logD

4.601

Water Solubility, LogSw

-4.46

Polar Surface Area

81.707

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with J094-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J094-0095?
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What is the minimum amount of J094-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0095
  • 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 J094-0095 available by request