E918-0413 Screening compound: 7-(4-bromophenyl)-N3-(4-fluorophenyl)-5-methyl-N6-phenyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

E918-0413 Screening compound: 7-(4-bromophenyl)-N3-(4-fluorophenyl)-5-methyl-N6-phenyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
E918-0413 Screening compound: 7-(4-bromophenyl)-N3-(4-fluorophenyl)-5-methyl-N6-phenyl-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E918-0413
7-(4-bromophenyl)-N3-(4-fluorophenyl)-5-methyl-N6-phenyl-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

E918-0413

Molecular Formula

C27H21BrFN5O2 (C27 H21 BrFN5 O2)

Compound Name

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

IUPAC name

7-(4-bromophenyl)-N3-(4-fluorophenyl)-5-methyl-N6-phenyl-4H7H-pyrazolo[15-a]pyrimidine-36-dicarboxamide

SMILES

CC(Nc(n(C1c(cc2)ccc2Br)nc2)c2C(Nc(cc2)ccc2F)=O)=C1C(Nc1ccccc1)=O

InChI

InChI=1S/C27H21BrFN5O2/c1-16-23(27(36)33-20-5-3-2-4-6-20)24(17-7-9-18(28)10-8-17)34-25(31-16)22(15-30-34)26(35)32-21-13-11-19(29)12-14-21/h2-15,24,31H,1H3,(H,32,35)(H,33,36)/t24-/m0/s1

InChI Key

OQRCXVNNPWZBCY-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14927808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.386

Distribution Coefficient, logD

5.385

Water Solubility, LogSw

-5.37

Polar Surface Area

70.346

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.40

E918-0413 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E918-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E918-0413?
Check Price and Availability of E918-0413, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E918-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E918-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E918-0413
  • 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 E918-0413 available by request