E918-0436 Screening compound: 7-(4-chlorophenyl)-N3-(4-fluorophenyl)-N6-(2-methoxyphenyl)-5-methyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

E918-0436 Screening compound: 7-(4-chlorophenyl)-N3-(4-fluorophenyl)-N6-(2-methoxyphenyl)-5-methyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
E918-0436 Screening compound: 7-(4-chlorophenyl)-N3-(4-fluorophenyl)-N6-(2-methoxyphenyl)-5-methyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E918-0436
7-(4-chlorophenyl)-N3-(4-fluorophenyl)-N6-(2-methoxyphenyl)-5-methyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

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

E918-0436

Molecular Formula

C28H23ClFN5O3 (C28 H23 ClFN5 O3)

Compound Name

7-(4-chlorophenyl)-N3-(4-fluorophenyl)-N6-(2-methoxyphenyl)-5-methyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

IUPAC name

7-(4-chlorophenyl)-N3-(4-fluorophenyl)-N6-(2-methoxyphenyl)-5-methyl-4H7H-pyrazolo[15-a]pyrimidine-36-dicarboxamide

SMILES

CC(Nc(n(C1c(cc2)ccc2Cl)nc2)c2C(Nc(cc2)ccc2F)=O)=C1C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C28H23ClFN5O3/c1-16-24(28(37)34-22-5-3-4-6-23(22)38-2)25(17-7-9-18(29)10-8-17)35-26(32-16)21(15-31-35)27(36)33-20-13-11-19(30)12-14-20/h3-15,25,32H,1-2H3,(H,33,36)(H,34,37)/t25-/m0/s1

InChI Key

MWMOTXMLYBYZPG-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14927819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.290

Distribution Coefficient, logD

5.289

Water Solubility, LogSw

-5.99

Polar Surface Area

77.279

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.70

E918-0436 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E918-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E918-0436?
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What is the minimum amount of E918-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E918-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E918-0436
  • 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 E918-0436 available by request