E918-0329 Screening compound: 7-(2,3-dimethoxyphenyl)-N6-(2-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

E918-0329 Screening compound: 7-(2,3-dimethoxyphenyl)-N6-(2-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
E918-0329 Screening compound: 7-(2,3-dimethoxyphenyl)-N6-(2-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E918-0329
7-(2,3-dimethoxyphenyl)-N6-(2-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-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

E918-0329

Molecular Formula

C31H31N5O5 (C31 H31 N5 O5)

Compound Name

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

IUPAC name

7-(23-dimethoxyphenyl)-N6-(2-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-4H7H-pyrazolo[15-a]pyrimidine-36-dicarboxamide

SMILES

Cc(cc1)ccc1NC(c1c(NC(C)=C(C2c(cccc3OC)c3OC)C(Nc(cccc3)c3OC)=O)n2nc1)=O

InChI

InChI=1S/C31H31N5O5/c1-18-13-15-20(16-14-18)34-30(37)22-17-32-36-27(21-9-8-12-25(40-4)28(21)41-5)26(19(2)33-29(22)36)31(38)35-23-10-6-7-11-24(23)39-3/h6-17,27,33H,1-5H3,(H,34,37)(H,35,38)/t27-/m0/s1

InChI Key

CTLUXTIFGPNNFP-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14927759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.956

Distribution Coefficient, logD

4.955

Water Solubility, LogSw

-4.49

Polar Surface Area

92.626

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.40

E918-0329 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with E918-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E918-0329?
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What is the minimum amount of E918-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E918-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E918-0329
  • 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 E918-0329 available by request