C999-0157 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

C999-0157 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide
C999-0157 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0157
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

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

C999-0157

Molecular Formula

C28H30N4O3 (C28 H30 N4 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-[1-(34-dimethylphenyl)-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl]propanamide

SMILES

Cc(c1c(C)c(CCC(NCc(cc2)cc3c2OCO3)=O)c(C)nc11)nn1-c1cc(C)c(C)cc1

InChI

InChI=1S/C28H30N4O3/c1-16-6-8-22(12-17(16)2)32-28-27(20(5)31-32)18(3)23(19(4)30-28)9-11-26(33)29-14-21-7-10-24-25(13-21)35-15-34-24/h6-8,10,12-13H,9,11,14-15H2,1-5H3,(H,29,33)

InChI Key

FWMAENRPCLUCJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.275

Distribution Coefficient, logD

5.263

Water Solubility, LogSw

-5.45

Polar Surface Area

65.526

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

C999-0157 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C999-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0157?
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What is the minimum amount of C999-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0157
  • 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 C999-0157 available by request