E918-0339 Screening compound: N6-(2-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-7-(2-nitrophenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

E918-0339 Screening compound: N6-(2-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-7-(2-nitrophenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
E918-0339 Screening compound: N6-(2-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-7-(2-nitrophenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E918-0339
N6-(2-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-7-(2-nitrophenyl)-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

E918-0339

Molecular Formula

C29H26N6O5 (C29 H26 N6 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(c1c(NC(C)=C(C2c(cccc3)c3[N+]([O-])=O)C(Nc(cccc3)c3OC)=O)n2nc1)=O

InChI

InChI=1S/C29H26N6O5/c1-17-12-14-19(15-13-17)32-28(36)21-16-30-34-26(20-8-4-6-10-23(20)35(38)39)25(18(2)31-27(21)34)29(37)33-22-9-5-7-11-24(22)40-3/h4-16,26,31H,1-3H3,(H,32,36)(H,33,37)/t26-/m0/s1

InChI Key

KQHAYJMHEANOOW-SANMLTNESA-N

MDL Number (MFCD)

MFCD14927767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.908

Distribution Coefficient, logD

4.907

Water Solubility, LogSw

-4.57

Polar Surface Area

110.359

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

References: we are preparing a list of scientific research reports with E918-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E918-0339?
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What is the minimum amount of E918-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E918-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E918-0339
  • 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 E918-0339 available by request