E918-0481 Screening compound: 7-(2,5-dimethoxyphenyl)-N6-(2,4-dimethylphenyl)-N3-(4-fluorophenyl)-5-methyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

E918-0481 Screening compound: 7-(2,5-dimethoxyphenyl)-N6-(2,4-dimethylphenyl)-N3-(4-fluorophenyl)-5-methyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
E918-0481 Screening compound: 7-(2,5-dimethoxyphenyl)-N6-(2,4-dimethylphenyl)-N3-(4-fluorophenyl)-5-methyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E918-0481
7-(2,5-dimethoxyphenyl)-N6-(2,4-dimethylphenyl)-N3-(4-fluorophenyl)-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

E918-0481

Molecular Formula

C31H30FN5O4 (C31 H30 FN5 O4)

Compound Name

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

IUPAC name

7-(25-dimethoxyphenyl)-N6-(24-dimethylphenyl)-N3-(4-fluorophenyl)-5-methyl-4H7H-pyrazolo[15-a]pyrimidine-36-dicarboxamide

SMILES

Cc(cc1)cc(C)c1NC(C(C(c(cc(cc1)OC)c1OC)n1nc2)=C(C)Nc1c2C(Nc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C31H30FN5O4/c1-17-6-12-25(18(2)14-17)36-31(39)27-19(3)34-29-24(30(38)35-21-9-7-20(32)8-10-21)16-33-37(29)28(27)23-15-22(40-4)11-13-26(23)41-5/h6-16,28,34H,1-5H3,(H,35,38)(H,36,39)/t28-/m0/s1

InChI Key

INNOVQVXZJWFGJ-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14927832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.605

Distribution Coefficient, logD

5.604

Water Solubility, LogSw

-5.26

Polar Surface Area

84.822

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.40

E918-0481 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

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 E918-0481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E918-0481?
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What is the minimum amount of E918-0481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E918-0481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E918-0481
  • 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 E918-0481 available by request