6604-0068 Screening compound: N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide

6604-0068 Screening compound: N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide
6604-0068 Screening compound: N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6604-0068
N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide

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

6604-0068

Molecular Formula

C26H21ClFN5O (C26 H21 ClFN5 O)

Compound Name

N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylpropanamide

IUPAC name

N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]-3-phenylpropanamide

SMILES

O=C(CCc1ccccc1)Nc1nn(C(C=C(c(cc2)ccc2Cl)N2)c(cc3)ccc3F)c2n1

InChI

InChI=1S/C26H21ClFN5O/c27-20-11-7-18(8-12-20)22-16-23(19-9-13-21(28)14-10-19)33-26(29-22)31-25(32-33)30-24(34)15-6-17-4-2-1-3-5-17/h1-5,7-14,16,23H,6,15H2,(H2,29,30,31,32,34)/t23-/m1/s1

InChI Key

VUOABLDAAVYFNR-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD04341045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.005

Distribution Coefficient, logD

6.001

Water Solubility, LogSw

-6.41

Polar Surface Area

61.671

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with 6604-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6604-0068?
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What is the minimum amount of 6604-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6604-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6604-0068
  • 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 6604-0068 available by request