C202-2459 Screening compound: 4-[3-(chloromethyl)-4-methoxyphenyl]-3-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid

C202-2459 Screening compound: 4-[3-(chloromethyl)-4-methoxyphenyl]-3-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
C202-2459 Screening compound: 4-[3-(chloromethyl)-4-methoxyphenyl]-3-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2459
4-[3-(chloromethyl)-4-methoxyphenyl]-3-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid

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

C202-2459

Molecular Formula

C21H15ClN4O5 (C21 H15 ClN4 O5)

Compound Name

4-[3-(chloromethyl)-4-methoxyphenyl]-3-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid

IUPAC name

4-[3-(chloromethyl)-4-methoxyphenyl]-3-(3-nitrophenyl)-1H-pyrazolo[34-b]pyridine-6-carboxylic acid

SMILES

COc(cc1)c(CCl)cc1-c1c(c(-c2cc([N+]([O-])=O)ccc2)n[nH]2)c2nc(C(O)=O)c1

InChI

InChI=1S/C21H15ClN4O5/c1-31-17-6-5-11(7-13(17)10-22)15-9-16(21(27)28)23-20-18(15)19(24-25-20)12-3-2-4-14(8-12)26(29)30/h2-9H,10H2,1H3,(H,27,28)(H,23,24,25)

InChI Key

HBWZNBJJNATKAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28992932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.83

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

0.209

Water Solubility, LogSw

-4.46

Polar Surface Area

102.304

Acid Dissociation Constant (pKa)

3.08

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C202-2459 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C202-2459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2459?
Check Price and Availability of C202-2459, 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 C202-2459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2459
  • 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 C202-2459 available by request