D733-0062 Screening compound: 3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

D733-0062 Screening compound: 3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
D733-0062 Screening compound: 3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D733-0062
3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-7-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

D733-0062

Molecular Formula

C21H19ClN4O4 (C21 H19 ClN4 O4)

Compound Name

3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

IUPAC name

3-(4-chlorophenyl)-N-(25-dimethoxyphenyl)-5-oxo-4H5H6H7H-pyrazolo[15-a]pyrimidine-7-carboxamide

SMILES

COc(cc1)cc(NC(C(C2)n3ncc(-c(cc4)ccc4Cl)c3NC2=O)=O)c1OC

InChI

InChI=1S/C21H19ClN4O4/c1-29-14-7-8-18(30-2)16(9-14)24-21(28)17-10-19(27)25-20-15(11-23-26(17)20)12-3-5-13(22)6-4-12/h3-9,11,17H,10H2,1-2H3,(H,24,28)(H,25,27)/t17-/m0/s1

InChI Key

PKXVMKNGUZXTGO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD12209602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.262

Distribution Coefficient, logD

3.261

Water Solubility, LogSw

-3.79

Polar Surface Area

75.993

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D733-0062 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D733-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D733-0062?
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What is the minimum amount of D733-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D733-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D733-0062
  • 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 D733-0062 available by request