C561-2801 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]azepane

C561-2801 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]azepane
C561-2801 Screening compound: 1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2801
1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]azepane

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

C561-2801

Molecular Formula

C21H23ClN4O (C21 H23 ClN4 O)

Compound Name

1-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]azepane

IUPAC name

1-[1-(2-chlorophenyl)-36-dimethyl-1H-pyrazolo[34-b]pyridine-4-carbonyl]azepane

SMILES

Cc(c(c1nc(C)c2)c2C(N2CCCCCC2)=O)nn1-c(cccc1)c1Cl

InChI

InChI=1S/C21H23ClN4O/c1-14-13-16(21(27)25-11-7-3-4-8-12-25)19-15(2)24-26(20(19)23-14)18-10-6-5-9-17(18)22/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3

InChI Key

YNBYJVLVKAJNFX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.028

Distribution Coefficient, logD

4.028

Water Solubility, LogSw

-4.29

Polar Surface Area

40.119

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with C561-2801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2801?
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What is the minimum amount of C561-2801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2801
  • 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 C561-2801 available by request