C200-4018 Screening compound: 2-({6-benzyl-1-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(4-bromo-2-fluorophenyl)acetamide

C200-4018 Screening compound: 2-({6-benzyl-1-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(4-bromo-2-fluorophenyl)acetamide
C200-4018 Screening compound: 2-({6-benzyl-1-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(4-bromo-2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4018
2-({6-benzyl-1-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(4-bromo-2-fluorophenyl)acetamide

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

C200-4018

Molecular Formula

C21H17BrFN5O2S (C21 H17 BrFN5 O2 S)

Compound Name

2-({6-benzyl-1-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(4-bromo-2-fluorophenyl)acetamide

IUPAC name

2-({6-benzyl-1-methyl-7-oxo-1H6H7H-pyrazolo[43-d]pyrimidin-5-yl}sulfanyl)-N-(4-bromo-2-fluorophenyl)acetamide

SMILES

Cn1ncc(N=C(N2Cc3ccccc3)SCC(Nc(ccc(Br)c3)c3F)=O)c1C2=O

InChI

InChI=1S/C21H17BrFN5O2S/c1-27-19-17(10-24-27)26-21(28(20(19)30)11-13-5-3-2-4-6-13)31-12-18(29)25-16-8-7-14(22)9-15(16)23/h2-10H,11-12H2,1H3,(H,25,29)

InChI Key

LNJLNBPNAWHHGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.509

Distribution Coefficient, logD

3.504

Water Solubility, LogSw

-3.78

Polar Surface Area

62.350

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C200-4018 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C200-4018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4018?
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What is the minimum amount of C200-4018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4018
  • 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 C200-4018 available by request