J013-1634 Screening compound: 4-(4-bromobenzoyl)-3-methyl-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-1634 Screening compound: 4-(4-bromobenzoyl)-3-methyl-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-1634 Screening compound: 4-(4-bromobenzoyl)-3-methyl-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1634
4-(4-bromobenzoyl)-3-methyl-1-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

J013-1634

Molecular Formula

C20H16BrN3O2 (C20 H16 BrN3 O2)

Compound Name

4-(4-bromobenzoyl)-3-methyl-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

4-(4-bromobenzoyl)-3-methyl-1-phenyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)C(c(cc2)ccc2Br)=O)c2NC1=O)nn2-c1ccccc1

InChI

InChI=1S/C20H16BrN3O2/c1-12-18-16(19(26)13-7-9-14(21)10-8-13)11-17(25)22-20(18)24(23-12)15-5-3-2-4-6-15/h2-10,16H,11H2,1H3,(H,22,25)/t16-/m1/s1

InChI Key

QDXPUEQCVHHESO-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27217183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.387

Distribution Coefficient, logD

3.375

Water Solubility, LogSw

-3.65

Polar Surface Area

52.830

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with J013-1634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-1634?
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What is the minimum amount of J013-1634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1634
  • 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 J013-1634 available by request