E918-0458 Screening compound: N3,7-bis(4-fluorophenyl)-N6-(4-methoxyphenyl)-5-methyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

E918-0458 Screening compound: N3,7-bis(4-fluorophenyl)-N6-(4-methoxyphenyl)-5-methyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
E918-0458 Screening compound: N3,7-bis(4-fluorophenyl)-N6-(4-methoxyphenyl)-5-methyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E918-0458
N3,7-bis(4-fluorophenyl)-N6-(4-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

E918-0458

Molecular Formula

C28H23F2N5O3 (C28 H23 F2 N5 O3)

Compound Name

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

IUPAC name

N37-bis(4-fluorophenyl)-N6-(4-methoxyphenyl)-5-methyl-4H7H-pyrazolo[15-a]pyrimidine-36-dicarboxamide

SMILES

CC(Nc(n(C1c(cc2)ccc2F)nc2)c2C(Nc(cc2)ccc2F)=O)=C1C(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C28H23F2N5O3/c1-16-24(28(37)34-21-11-13-22(38-2)14-12-21)25(17-3-5-18(29)6-4-17)35-26(32-16)23(15-31-35)27(36)33-20-9-7-19(30)8-10-20/h3-15,25,32H,1-2H3,(H,33,36)(H,34,37)/t25-/m0/s1

InChI Key

YHDZULZWNBFJPC-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14927828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.52

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

4.755

Distribution Coefficient, logD

4.754

Water Solubility, LogSw

-4.47

Polar Surface Area

77.890

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.70

References: we are preparing a list of scientific research reports with E918-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E918-0458?
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What is the minimum amount of E918-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E918-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E918-0458
  • 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 E918-0458 available by request