J094-0839 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-(5-methylthiophen-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J094-0839 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-(5-methylthiophen-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J094-0839 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-(5-methylthiophen-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J094-0839
1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-(5-methylthiophen-2-yl)-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

J094-0839

Molecular Formula

C21H20N4O2S2 (C21 H20 N4 O2 S2)

Compound Name

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

IUPAC name

1-(6-ethoxy-13-benzothiazol-2-yl)-3-methyl-4-(5-methylthiophen-2-yl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

CCOc(cc1)cc2c1nc(-n1nc(C)c(C(C3)c4ccc(C)s4)c1NC3=O)s2

InChI

InChI=1S/C21H20N4O2S2/c1-4-27-13-6-7-15-17(9-13)29-21(22-15)25-20-19(12(3)24-25)14(10-18(26)23-20)16-8-5-11(2)28-16/h5-9,14H,4,10H2,1-3H3,(H,23,26)/t14-/m1/s1

InChI Key

XUYJQLOCQIECNB-CQSZACIVSA-N

MDL Number (MFCD)

MFCD15080790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.834

Distribution Coefficient, logD

4.751

Water Solubility, LogSw

-4.64

Polar Surface Area

56.769

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

J094-0839 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J094-0839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J094-0839?
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What is the minimum amount of J094-0839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0839
  • 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 J094-0839 available by request