C999-1346 Screening compound: 3-[3-(2-methoxyphenyl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide

C999-1346 Screening compound: 3-[3-(2-methoxyphenyl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
C999-1346 Screening compound: 3-[3-(2-methoxyphenyl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-1346
3-[3-(2-methoxyphenyl)-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]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

C999-1346

Molecular Formula

C25H28N4O2S (C25 H28 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCNC(CCn(c2nc(C)cc(C)c22)nc2-c(cccc2)c2OC)=O)scc1

InChI

InChI=1S/C25H28N4O2S/c1-16-11-14-32-21(16)9-12-26-22(30)10-13-29-25-23(17(2)15-18(3)27-25)24(28-29)19-7-5-6-8-20(19)31-4/h5-8,11,14-15H,9-10,12-13H2,1-4H3,(H,26,30)

InChI Key

YLBJSIZJRBEXIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.912

Distribution Coefficient, logD

3.912

Water Solubility, LogSw

-4.06

Polar Surface Area

56.167

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C999-1346 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 C999-1346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-1346?
Check Price and Availability of C999-1346, 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 C999-1346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-1346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-1346
  • 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 C999-1346 available by request