C200-4098 Screening compound: ethyl 2-[2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate

C200-4098 Screening compound: ethyl 2-[2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate
C200-4098 Screening compound: ethyl 2-[2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4098
ethyl 2-[2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate

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

C200-4098

Molecular Formula

C25H24ClN5O4S (C25 H24 ClN5 O4 S)

Compound Name

ethyl 2-[2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate

IUPAC name

ethyl 2-[2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-2H6H7H-pyrazolo[43-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate

SMILES

CCn(cc1N=C(N2Cc(cc3)ccc3Cl)SCC(Nc(cccc3)c3C(OCC)=O)=O)nc1C2=O

InChI

InChI=1S/C25H24ClN5O4S/c1-3-30-14-20-22(29-30)23(33)31(13-16-9-11-17(26)12-10-16)25(28-20)36-15-21(32)27-19-8-6-5-7-18(19)24(34)35-4-2/h5-12,14H,3-4,13,15H2,1-2H3,(H,27,32)

InChI Key

DDCOKBGKQXGBER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.02

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.018

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.54

Polar Surface Area

84.115

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C200-4098 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-4098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4098?
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What is the minimum amount of C200-4098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4098
  • 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 C200-4098 available by request