E981-1139 Screening compound: 1-[1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-4-(2,3-dimethylphenyl)piperazine

E981-1139 Screening compound: 1-[1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-4-(2,3-dimethylphenyl)piperazine
E981-1139 Screening compound: 1-[1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-4-(2,3-dimethylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E981-1139
1-[1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-4-(2,3-dimethylphenyl)piperazine

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

E981-1139

Molecular Formula

C28H30ClN5O (C28 H30 ClN5 O)

Compound Name

1-[1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-4-(2,3-dimethylphenyl)piperazine

IUPAC name

1-[1-(3-chloro-2-methylphenyl)-36-dimethyl-1H-pyrazolo[34-b]pyridine-4-carbonyl]-4-(23-dimethylphenyl)piperazine

SMILES

Cc(c(c1nc(C)c2)c2C(N(CC2)CCN2c2c(C)c(C)ccc2)=O)nn1-c1cccc(Cl)c1C

InChI

InChI=1S/C28H30ClN5O/c1-17-8-6-10-24(19(17)3)32-12-14-33(15-13-32)28(35)22-16-18(2)30-27-26(22)21(5)31-34(27)25-11-7-9-23(29)20(25)4/h6-11,16H,12-15H2,1-5H3

InChI Key

PAMNEADLLWUTDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.03

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.907

Distribution Coefficient, logD

5.907

Water Solubility, LogSw

-6.03

Polar Surface Area

42.747

Acid Dissociation Constant (pKa)

27.21

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

E981-1139 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E981-1139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E981-1139?
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What is the minimum amount of E981-1139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E981-1139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E981-1139
  • 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 E981-1139 available by request