C201-0804 Screening compound: 5-(chloromethyl)-N-(3-methylphenyl)-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C201-0804 Screening compound: 5-(chloromethyl)-N-(3-methylphenyl)-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
C201-0804 Screening compound: 5-(chloromethyl)-N-(3-methylphenyl)-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0804
5-(chloromethyl)-N-(3-methylphenyl)-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

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

C201-0804

Molecular Formula

C15H13ClN4O2 (C15 H13 ClN4 O2)

Compound Name

5-(chloromethyl)-N-(3-methylphenyl)-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

5-(chloromethyl)-N-(3-methylphenyl)-7-oxo-4H7H-pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

Cc1cccc(NC(c2c(NC(CCl)=CC3=O)n3nc2)=O)c1

InChI

InChI=1S/C15H13ClN4O2/c1-9-3-2-4-10(5-9)19-15(22)12-8-17-20-13(21)6-11(7-16)18-14(12)20/h2-6,8,18H,7H2,1H3,(H,19,22)

InChI Key

KHQMFHNLCFQUBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28992959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.213

Distribution Coefficient, logD

0.262

Water Solubility, LogSw

-3.09

Polar Surface Area

61.818

Acid Dissociation Constant (pKa)

5.45

Base Dissociation Constant (pKb)

-3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

C201-0804 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C201-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0804?
Check Price and Availability of C201-0804, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C201-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0804
  • 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 C201-0804 available by request