C365-0258 Screening compound: 1-(3,4-dimethylphenyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C365-0258 Screening compound: 1-(3,4-dimethylphenyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C365-0258 Screening compound: 1-(3,4-dimethylphenyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C365-0258
1-(3,4-dimethylphenyl)-6-{[(4-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

C365-0258

Molecular Formula

C20H17N5O3S (C20 H17 N5 O3 S)

Compound Name

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

IUPAC name

1-(34-dimethylphenyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}-1H4H5H-pyrazolo[34-d]pyrimidin-4-one

SMILES

Cc(cc1)c(C)cc1-n1ncc(C(N2)=O)c1N=C2SCc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C20H17N5O3S/c1-12-3-6-16(9-13(12)2)24-18-17(10-21-24)19(26)23-20(22-18)29-11-14-4-7-15(8-5-14)25(27)28/h3-10H,11H2,1-2H3,(H,22,23,26)

InChI Key

XDVMQMRYNNOPLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.45

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

4.487

Distribution Coefficient, logD

4.449

Water Solubility, LogSw

-4.21

Polar Surface Area

81.833

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C365-0258 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 C365-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C365-0258?
Check Price and Availability of C365-0258, 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 C365-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C365-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C365-0258
  • 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 C365-0258 available by request