E981-1138 Screening compound: 1-[1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-4-cyclohexylpiperazine

E981-1138 Screening compound: 1-[1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-4-cyclohexylpiperazine
E981-1138 Screening compound: 1-[1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-4-cyclohexylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E981-1138
1-[1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]-4-cyclohexylpiperazine

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

E981-1138

Molecular Formula

C26H32ClN5O (C26 H32 ClN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(c1nc(C)c2)c2C(N(CC2)CCN2C2CCCCC2)=O)nn1-c1cccc(Cl)c1C

InChI

InChI=1S/C26H32ClN5O/c1-17-16-21(26(33)31-14-12-30(13-15-31)20-8-5-4-6-9-20)24-19(3)29-32(25(24)28-17)23-11-7-10-22(27)18(23)2/h7,10-11,16,20H,4-6,8-9,12-15H2,1-3H3

InChI Key

ZYMACWWFDFZVSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.805

Distribution Coefficient, logD

4.643

Water Solubility, LogSw

-4.90

Polar Surface Area

42.881

Acid Dissociation Constant (pKa)

27.21

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E981-1138 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E981-1138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E981-1138?
Check Price and Availability of E981-1138, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E981-1138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E981-1138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E981-1138
  • 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 E981-1138 available by request