3756-0029 Screening compound: 1-{3-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl}butan-1-one

3756-0029 Screening compound: 1-{3-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl}butan-1-one
3756-0029 Screening compound: 1-{3-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl}butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3756-0029
1-{3-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl}butan-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

3756-0029

Molecular Formula

C21H22F2N2O2 (C21 H22 F2 N2 O2)

Compound Name

1-{3-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl}butan-1-one

IUPAC name

1-{3-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl}butan-1-one

SMILES

CCCC(c(cc1)cc(F)c1N(CC1)CCN1C(c1cc(F)ccc1)=O)=O

InChI

InChI=1S/C21H22F2N2O2/c1-2-4-20(26)15-7-8-19(18(23)14-15)24-9-11-25(12-10-24)21(27)16-5-3-6-17(22)13-16/h3,5-8,13-14H,2,4,9-12H2,1H3

InChI Key

USEANTZWNMDTPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02214262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.974

Distribution Coefficient, logD

3.974

Water Solubility, LogSw

-4.12

Polar Surface Area

33.093

Acid Dissociation Constant (pKa)

21.28

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 3756-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3756-0029?
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What is the minimum amount of 3756-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3756-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3756-0029
  • 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 3756-0029 available by request