C999-1299 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methoxyphenyl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-yl]propanamide

C999-1299 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methoxyphenyl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-yl]propanamide
C999-1299 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methoxyphenyl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-1299
N-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methoxyphenyl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-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

C999-1299

Molecular Formula

C28H29N5O2 (C28 H29 N5 O2)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methoxyphenyl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-yl]propanamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methoxyphenyl)-46-dimethyl-1H-pyrazolo[34-b]pyridin-1-yl]propanamide

SMILES

Cc1c(c(-c(cccc2)c2OC)nn2CCC(NCCc3c[nH]c4c3cccc4)=O)c2nc(C)c1

InChI

InChI=1S/C28H29N5O2/c1-18-16-19(2)31-28-26(18)27(22-9-5-7-11-24(22)35-3)32-33(28)15-13-25(34)29-14-12-20-17-30-23-10-6-4-8-21(20)23/h4-11,16-17,30H,12-15H2,1-3H3,(H,29,34)

InChI Key

XIPOHQYWGZHBBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.840

Distribution Coefficient, logD

3.840

Water Solubility, LogSw

-4.13

Polar Surface Area

65.019

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C999-1299 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

MCL1 Targeted Library (12200 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C999-1299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-1299?
Check Price and Availability of C999-1299, 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 C999-1299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-1299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-1299
  • 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 C999-1299 available by request