D047-0197 Screening compound: 4-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide

D047-0197 Screening compound: 4-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
D047-0197 Screening compound: 4-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D047-0197
4-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide

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

D047-0197

Molecular Formula

C25H25F2N3O (C25 H25 F2 N3 O)

Compound Name

4-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide

IUPAC name

4-[bis(4-fluorophenyl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide

SMILES

Cc(cc1)ccc1NC(N(CC1)CCN1C(c(cc1)ccc1F)c(cc1)ccc1F)=O

InChI

InChI=1S/C25H25F2N3O/c1-18-2-12-23(13-3-18)28-25(31)30-16-14-29(15-17-30)24(19-4-8-21(26)9-5-19)20-6-10-22(27)11-7-20/h2-13,24H,14-17H2,1H3,(H,28,31)

InChI Key

HBFJIUOAFAPGAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07141289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.196

Distribution Coefficient, logD

5.189

Water Solubility, LogSw

-5.09

Polar Surface Area

28.269

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D047-0197 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D047-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D047-0197?
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What is the minimum amount of D047-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D047-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D047-0197
  • 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 D047-0197 available by request