8011-6428 Screening compound: 1-{4-[4-(4,5-difluoro-2-methylbenzoyl)piperazin-1-yl]-3-fluorophenyl}propan-1-one

8011-6428 Screening compound: 1-{4-[4-(4,5-difluoro-2-methylbenzoyl)piperazin-1-yl]-3-fluorophenyl}propan-1-one
8011-6428 Screening compound: 1-{4-[4-(4,5-difluoro-2-methylbenzoyl)piperazin-1-yl]-3-fluorophenyl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6428
1-{4-[4-(4,5-difluoro-2-methylbenzoyl)piperazin-1-yl]-3-fluorophenyl}propan-1-one

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

8011-6428

Molecular Formula

C21H21F3N2O2 (C21 H21 F3 N2 O2)

Compound Name

1-{4-[4-(4,5-difluoro-2-methylbenzoyl)piperazin-1-yl]-3-fluorophenyl}propan-1-one

IUPAC name

1-{4-[4-(45-difluoro-2-methylbenzoyl)piperazin-1-yl]-3-fluorophenyl}propan-1-one

SMILES

CCC(c(cc1)cc(F)c1N(CC1)CCN1C(c(c(C)c1)cc(F)c1F)=O)=O

InChI

InChI=1S/C21H21F3N2O2/c1-3-20(27)14-4-5-19(18(24)11-14)25-6-8-26(9-7-25)21(28)15-12-17(23)16(22)10-13(15)2/h4-5,10-12H,3,6-9H2,1-2H3

InChI Key

KNNJFCOAXOBKNZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.963

Distribution Coefficient, logD

3.963

Water Solubility, LogSw

-4.04

Polar Surface Area

33.093

Acid Dissociation Constant (pKa)

20.92

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8011-6428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6428?
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What is the minimum amount of 8011-6428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6428
  • 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 8011-6428 available by request