J081-1611 Screening compound: 1-(6-methoxy-1,3-benzothiazol-2-yl)-4-[3-methoxy-4-(propan-2-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J081-1611 Screening compound: 1-(6-methoxy-1,3-benzothiazol-2-yl)-4-[3-methoxy-4-(propan-2-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J081-1611 Screening compound: 1-(6-methoxy-1,3-benzothiazol-2-yl)-4-[3-methoxy-4-(propan-2-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-1611
1-(6-methoxy-1,3-benzothiazol-2-yl)-4-[3-methoxy-4-(propan-2-yloxy)phenyl]-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

J081-1611

Molecular Formula

C24H24N4O4S (C24 H24 N4 O4 S)

Compound Name

1-(6-methoxy-1,3-benzothiazol-2-yl)-4-[3-methoxy-4-(propan-2-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-(6-methoxy-13-benzothiazol-2-yl)-4-[3-methoxy-4-(propan-2-yloxy)phenyl]-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

CC(C)Oc(ccc(C(CC(N1)=O)c2c1n(-c1nc(ccc(OC)c3)c3s1)nc2)c1)c1OC

InChI

InChI=1S/C24H24N4O4S/c1-13(2)32-19-8-5-14(9-20(19)31-4)16-11-22(29)27-23-17(16)12-25-28(23)24-26-18-7-6-15(30-3)10-21(18)33-24/h5-10,12-13,16H,11H2,1-4H3,(H,27,29)/t16-/m0/s1

InChI Key

ZXKBPNCOAIDPKZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15080148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.574

Distribution Coefficient, logD

4.567

Water Solubility, LogSw

-4.39

Polar Surface Area

70.337

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

J081-1611 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 J081-1611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-1611?
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What is the minimum amount of J081-1611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-1611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-1611
  • 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 J081-1611 available by request