C365-0093 Screening compound: 1-(4-chlorophenyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

C365-0093 Screening compound: 1-(4-chlorophenyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
C365-0093 Screening compound: 1-(4-chlorophenyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C365-0093
1-(4-chlorophenyl)-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

C365-0093

Molecular Formula

C18H12ClN5O3S (C18 H12 ClN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1ccc(CSC(N2)=Nc(n(-c(cc3)ccc3Cl)nc3)c3C2=O)cc1)=O

InChI

InChI=1S/C18H12ClN5O3S/c19-12-3-7-13(8-4-12)23-16-15(9-20-23)17(25)22-18(21-16)28-10-11-1-5-14(6-2-11)24(26)27/h1-9H,10H2,(H,21,22,25)

InChI Key

XPURPWCBFKTLIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.84

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

3.955

Distribution Coefficient, logD

3.916

Water Solubility, LogSw

-4.57

Polar Surface Area

81.833

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with C365-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C365-0093?
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What is the minimum amount of C365-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C365-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C365-0093
  • 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 C365-0093 available by request