J013-1209 Screening compound: 1-(4-bromophenyl)-4-(5-ethylthiophene-2-carbonyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-1209 Screening compound: 1-(4-bromophenyl)-4-(5-ethylthiophene-2-carbonyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-1209 Screening compound: 1-(4-bromophenyl)-4-(5-ethylthiophene-2-carbonyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1209
1-(4-bromophenyl)-4-(5-ethylthiophene-2-carbonyl)-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

J013-1209

Molecular Formula

C20H18BrN3O2S (C20 H18 BrN3 O2 S)

Compound Name

1-(4-bromophenyl)-4-(5-ethylthiophene-2-carbonyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-(4-bromophenyl)-4-(5-ethylthiophene-2-carbonyl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

CCc1ccc(C(C(CC(N2)=O)c3c2n(-c(cc2)ccc2Br)nc3C)=O)s1

InChI

InChI=1S/C20H18BrN3O2S/c1-3-14-8-9-16(27-14)19(26)15-10-17(25)22-20-18(15)11(2)23-24(20)13-6-4-12(21)5-7-13/h4-9,15H,3,10H2,1-2H3,(H,22,25)/t15-/m0/s1

InChI Key

RAKWAXDQDNUZPQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27217091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.429

Distribution Coefficient, logD

4.359

Water Solubility, LogSw

-4.21

Polar Surface Area

53.848

Acid Dissociation Constant (pKa)

8.15

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with J013-1209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-1209?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1209
  • 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 J013-1209 available by request