J081-1184 Screening compound: 2-(3-{1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}phenoxy)acetamide

J081-1184 Screening compound: 2-(3-{1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}phenoxy)acetamide
J081-1184 Screening compound: 2-(3-{1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}phenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J081-1184
2-(3-{1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}phenoxy)acetamide

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

J081-1184

Molecular Formula

C24H20ClN7O3 (C24 H20 ClN7 O3)

Compound Name

2-(3-{1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-4-yl}phenoxy)acetamide

IUPAC name

2-(3-{1-[5-(4-chlorophenyl)-124-triazin-3-yl]-3-methyl-6-oxo-1H4H5H6H7H-pyrazolo[34-b]pyridin-4-yl}phenoxy)acetamide

SMILES

Cc(c(C(C1)c2cc(OCC(N)=O)ccc2)c2NC1=O)nn2-c1nncc(-c(cc2)ccc2Cl)n1

InChI

InChI=1S/C24H20ClN7O3/c1-13-22-18(15-3-2-4-17(9-15)35-12-20(26)33)10-21(34)29-23(22)32(31-13)24-28-19(11-27-30-24)14-5-7-16(25)8-6-14/h2-9,11,18H,10,12H2,1H3,(H2,26,33)(H,29,34)/t18-/m0/s1

InChI Key

QKRDLSIKYGHUNZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15080115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.473

Distribution Coefficient, logD

2.472

Water Solubility, LogSw

-3.49

Polar Surface Area

111.262

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

J081-1184 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J081-1184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J081-1184?
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What is the minimum amount of J081-1184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J081-1184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J081-1184
  • 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 J081-1184 available by request