D047-0206 Screening compound: 4-[bis(4-fluorophenyl)methyl]-N-[4-(propan-2-yl)phenyl]piperazine-1-carboxamide

D047-0206 Screening compound: 4-[bis(4-fluorophenyl)methyl]-N-[4-(propan-2-yl)phenyl]piperazine-1-carboxamide
D047-0206 Screening compound: 4-[bis(4-fluorophenyl)methyl]-N-[4-(propan-2-yl)phenyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D047-0206
4-[bis(4-fluorophenyl)methyl]-N-[4-(propan-2-yl)phenyl]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

D047-0206

Molecular Formula

C27H29F2N3O (C27 H29 F2 N3 O)

Compound Name

4-[bis(4-fluorophenyl)methyl]-N-[4-(propan-2-yl)phenyl]piperazine-1-carboxamide

IUPAC name

4-[bis(4-fluorophenyl)methyl]-N-[4-(propan-2-yl)phenyl]piperazine-1-carboxamide

SMILES

CC(C)c(cc1)ccc1NC(N(CC1)CCN1C(c(cc1)ccc1F)c(cc1)ccc1F)=O

InChI

InChI=1S/C27H29F2N3O/c1-19(2)20-7-13-25(14-8-20)30-27(33)32-17-15-31(16-18-32)26(21-3-9-23(28)10-4-21)22-5-11-24(29)12-6-22/h3-14,19,26H,15-18H2,1-2H3,(H,30,33)

InChI Key

MJLGJDHBJZMZGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.110

Distribution Coefficient, logD

6.104

Water Solubility, LogSw

-5.57

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

29.60

D047-0206 in Drug Discovery

Included in Screening Libraries

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 D047-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D047-0206?
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What is the minimum amount of D047-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D047-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D047-0206
  • 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 D047-0206 available by request