D047-0199 Screening compound: 4-[bis(4-fluorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide

D047-0199 Screening compound: 4-[bis(4-fluorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
D047-0199 Screening compound: 4-[bis(4-fluorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D047-0199
4-[bis(4-fluorophenyl)methyl]-N-(4-ethoxyphenyl)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

D047-0199

Molecular Formula

C26H27F2N3O2 (C26 H27 F2 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C26H27F2N3O2/c1-2-33-24-13-11-23(12-14-24)29-26(32)31-17-15-30(16-18-31)25(19-3-7-21(27)8-4-19)20-5-9-22(28)10-6-20/h3-14,25H,2,15-18H2,1H3,(H,29,32)

InChI Key

OTVVLVYSWQRNKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.141

Distribution Coefficient, logD

5.135

Water Solubility, LogSw

-4.99

Polar Surface Area

35.393

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

D047-0199 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D047-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D047-0199?
Check Price and Availability of D047-0199, 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 D047-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D047-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D047-0199
  • 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 D047-0199 available by request