E918-0491 Screening compound: N6-(2,4-dimethylphenyl)-N3-(4-fluorophenyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

E918-0491 Screening compound: N6-(2,4-dimethylphenyl)-N3-(4-fluorophenyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
E918-0491 Screening compound: N6-(2,4-dimethylphenyl)-N3-(4-fluorophenyl)-5-methyl-7-(4-nitrophenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E918-0491
N6-(2,4-dimethylphenyl)-N3-(4-fluorophenyl)-5-methyl-7-(4-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

E918-0491

Molecular Formula

C29H25FN6O4 (C29 H25 FN6 O4)

Compound Name

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

IUPAC name

N6-(24-dimethylphenyl)-N3-(4-fluorophenyl)-5-methyl-7-(4-nitrophenyl)-4H7H-pyrazolo[15-a]pyrimidine-36-dicarboxamide

SMILES

Cc(cc1)cc(C)c1NC(C(C(c(cc1)ccc1[N+]([O-])=O)n1nc2)=C(C)Nc1c2C(Nc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C29H25FN6O4/c1-16-4-13-24(17(2)14-16)34-29(38)25-18(3)32-27-23(28(37)33-21-9-7-20(30)8-10-21)15-31-35(27)26(25)19-5-11-22(12-6-19)36(39)40/h4-15,26,32H,1-3H3,(H,33,37)(H,34,38)/t26-/m0/s1

InChI Key

PUKNPAIYJMMTGC-SANMLTNESA-N

MDL Number (MFCD)

MFCD14927839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.350

Distribution Coefficient, logD

5.349

Water Solubility, LogSw

-5.22

Polar Surface Area

103.030

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

E918-0491 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E918-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E918-0491?
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What is the minimum amount of E918-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E918-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E918-0491
  • 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 E918-0491 available by request