K643-0587 Screening compound: 5-(2-methylphenyl)-6-{[(3-nitrophenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

K643-0587 Screening compound: 5-(2-methylphenyl)-6-{[(3-nitrophenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
K643-0587 Screening compound: 5-(2-methylphenyl)-6-{[(3-nitrophenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K643-0587
5-(2-methylphenyl)-6-{[(3-nitrophenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

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

K643-0587

Molecular Formula

C19H15N5O3S (C19 H15 N5 O3 S)

Compound Name

5-(2-methylphenyl)-6-{[(3-nitrophenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

IUPAC name

5-(2-methylphenyl)-6-{[(3-nitrophenyl)methyl]sulfanyl}-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

Cc(cccc1)c1N1C(SCc2cc([N+]([O-])=O)ccc2)=Nc([nH]nc2)c2C1=O

InChI

InChI=1S/C19H15N5O3S/c1-12-5-2-3-8-16(12)23-18(25)15-10-20-22-17(15)21-19(23)28-11-13-6-4-7-14(9-13)24(26)27/h2-10H,11H2,1H3,(H,20,22)

InChI Key

BJOWGSQWALSCBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.498

Distribution Coefficient, logD

3.496

Water Solubility, LogSw

-3.76

Polar Surface Area

82.507

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with K643-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K643-0587?
Check Price and Availability of K643-0587, 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 K643-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K643-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K643-0587
  • 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 K643-0587 available by request