J094-0504 Screening compound: 4-(5-tert-butylthiophen-2-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J094-0504 Screening compound: 4-(5-tert-butylthiophen-2-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J094-0504 Screening compound: 4-(5-tert-butylthiophen-2-yl)-1-(6-methoxy-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 J094-0504
4-(5-tert-butylthiophen-2-yl)-1-(6-methoxy-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

J094-0504

Molecular Formula

C23H24N4O2S2 (C23 H24 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c1ccc(C(CC(N2)=O)c3c2n(-c2nc(ccc(OC)c4)c4s2)nc3C)s1

InChI

InChI=1S/C23H24N4O2S2/c1-12-20-14(16-8-9-18(30-16)23(2,3)4)11-19(28)25-21(20)27(26-12)22-24-15-7-6-13(29-5)10-17(15)31-22/h6-10,14H,11H2,1-5H3,(H,25,28)/t14-/m1/s1

InChI Key

CFUVWGVQKWFJJH-CQSZACIVSA-N

MDL Number (MFCD)

MFCD15080770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.6

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

5.623

Distribution Coefficient, logD

5.540

Water Solubility, LogSw

-5.43

Polar Surface Area

57.189

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

J094-0504 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 J094-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J094-0504?
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What is the minimum amount of J094-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J094-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J094-0504
  • 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 J094-0504 available by request