K643-0629 Screening compound: 2-{[5-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxy-4-nitrophenyl)acetamide

K643-0629 Screening compound: 2-{[5-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxy-4-nitrophenyl)acetamide
K643-0629 Screening compound: 2-{[5-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxy-4-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K643-0629
2-{[5-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxy-4-nitrophenyl)acetamide

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

K643-0629

Molecular Formula

C20H15ClN6O5S (C20 H15 ClN6 O5 S)

Compound Name

2-{[5-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxy-4-nitrophenyl)acetamide

IUPAC name

2-{[5-(4-chlorophenyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxy-4-nitrophenyl)acetamide

SMILES

COc(cc(cc1)[N+]([O-])=O)c1NC(CSC(N1c(cc2)ccc2Cl)=Nc([nH]nc2)c2C1=O)=O

InChI

InChI=1S/C20H15ClN6O5S/c1-32-16-8-13(27(30)31)6-7-15(16)23-17(28)10-33-20-24-18-14(9-22-25-18)19(29)26(20)12-4-2-11(21)3-5-12/h2-9H,10H2,1H3,(H,22,25)(H,23,28)

InChI Key

DCSRSNSIIIQHPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.9

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.016

Distribution Coefficient, logD

2.996

Water Solubility, LogSw

-3.56

Polar Surface Area

112.890

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

K643-0629 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K643-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K643-0629?
Check Price and Availability of K643-0629, 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 K643-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K643-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K643-0629
  • 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 K643-0629 available by request