C365-0166 Screening compound: methyl 2-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetate

C365-0166 Screening compound: methyl 2-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetate
C365-0166 Screening compound: methyl 2-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C365-0166
methyl 2-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetate

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

C365-0166

Molecular Formula

C14H11ClN4O3S (C14 H11 ClN4 O3 S)

Compound Name

methyl 2-{[1-(4-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetate

IUPAC name

methyl 2-{[1-(4-chlorophenyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl]sulfanyl}acetate

SMILES

COC(CSC(N1)=Nc(n(-c(cc2)ccc2Cl)nc2)c2C1=O)=O

InChI

InChI=1S/C14H11ClN4O3S/c1-22-11(20)7-23-14-17-12-10(13(21)18-14)6-16-19(12)9-4-2-8(15)3-5-9/h2-6H,7H2,1H3,(H,17,18,21)

InChI Key

UEGVPYKMGXJHIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.79

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.325

Distribution Coefficient, logD

2.262

Water Solubility, LogSw

-3.36

Polar Surface Area

69.302

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C365-0166 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C365-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C365-0166?
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What is the minimum amount of C365-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C365-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C365-0166
  • 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 C365-0166 available by request