C200-6014 Screening compound: 2-{6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(4-chloro-2-fluorophenyl)acetamide

C200-6014 Screening compound: 2-{6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(4-chloro-2-fluorophenyl)acetamide
C200-6014 Screening compound: 2-{6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(4-chloro-2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6014
2-{6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(4-chloro-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

C200-6014

Molecular Formula

C23H21ClFN5O3 (C23 H21 ClFN5 O3)

Compound Name

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

IUPAC name

2-{6-benzyl-1-ethyl-3-methyl-57-dioxo-1H4H5H6H7H-pyrazolo[43-d]pyrimidin-4-yl}-N-(4-chloro-2-fluorophenyl)acetamide

SMILES

CCn1nc(C)c(N(CC(Nc(ccc(Cl)c2)c2F)=O)C(N2Cc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C23H21ClFN5O3/c1-3-30-21-20(14(2)27-30)28(13-19(31)26-18-10-9-16(24)11-17(18)25)23(33)29(22(21)32)12-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3,(H,26,31)

InChI Key

IQMAQUXDPSWOGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.542

Distribution Coefficient, logD

3.534

Water Solubility, LogSw

-3.94

Polar Surface Area

68.795

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with C200-6014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6014?
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What is the minimum amount of C200-6014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6014
  • 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 C200-6014 available by request