J013-1679 Screening compound: 4-(4-bromobenzoyl)-1-(4-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-1679 Screening compound: 4-(4-bromobenzoyl)-1-(4-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-1679 Screening compound: 4-(4-bromobenzoyl)-1-(4-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1679
4-(4-bromobenzoyl)-1-(4-fluorophenyl)-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

J013-1679

Molecular Formula

C20H15BrFN3O2 (C20 H15 BrFN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(C1)C(c(cc2)ccc2Br)=O)c2NC1=O)nn2-c(cc1)ccc1F

InChI

InChI=1S/C20H15BrFN3O2/c1-11-18-16(19(27)12-2-4-13(21)5-3-12)10-17(26)23-20(18)25(24-11)15-8-6-14(22)7-9-15/h2-9,16H,10H2,1H3,(H,23,26)/t16-/m1/s1

InChI Key

NGSQCWPIBNPZHB-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27217219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.26

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

3.537

Distribution Coefficient, logD

3.525

Water Solubility, LogSw

-3.70

Polar Surface Area

52.830

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with J013-1679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-1679?
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What is the minimum amount of J013-1679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1679
  • 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 J013-1679 available by request