J094-0417 Screening compound: 4-(3-bromo-4-methoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J094-0417 Screening compound: 4-(3-bromo-4-methoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J094-0417 Screening compound: 4-(3-bromo-4-methoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J094-0417
4-(3-bromo-4-methoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-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

J094-0417

Molecular Formula

C23H21BrN4O3S (C23 H21 BrN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)cc2c1nc(-n1nc(C)c(C(C3)c(cc4)cc(Br)c4OC)c1NC3=O)s2

InChI

InChI=1S/C23H21BrN4O3S/c1-4-31-14-6-7-17-19(10-14)32-23(25-17)28-22-21(12(2)27-28)15(11-20(29)26-22)13-5-8-18(30-3)16(24)9-13/h5-10,15H,4,11H2,1-3H3,(H,26,29)/t15-/m1/s1

InChI Key

HKZSOMBZLDJYGM-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27224811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.920

Distribution Coefficient, logD

4.838

Water Solubility, LogSw

-4.71

Polar Surface Area

63.381

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

J094-0417 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J094-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J094-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0417
  • 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 J094-0417 available by request