V010-5301 Screening compound: 4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-propanamidophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

V010-5301 Screening compound: 4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-propanamidophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
V010-5301 Screening compound: 4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-propanamidophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-5301
4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-propanamidophenyl)-N-[3-(trifluoromethyl)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

V010-5301

Molecular Formula

C29H29F4N5O3 (C29 H29 F4 N5 O3)

Compound Name

4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-propanamidophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

IUPAC name

4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-propanamidophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

SMILES

CCC(Nc(cc1)cc(C(NCc(cc2)ccc2F)=O)c1N(CC1)CCN1C(Nc1cc(C(F)(F)F)ccc1)=O)=O

InChI

InChI=1S/C29H29F4N5O3/c1-2-26(39)35-23-10-11-25(24(17-23)27(40)34-18-19-6-8-21(30)9-7-19)37-12-14-38(15-13-37)28(41)36-22-5-3-4-20(16-22)29(31,32)33/h3-11,16-17H,2,12-15,18H2,1H3,(H,34,40)(H,35,39)(H,36,41)

InChI Key

FLOFUKUVQRIFGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14259135

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

571.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.161

Distribution Coefficient, logD

5.161

Water Solubility, LogSw

-5.06

Polar Surface Area

76.230

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

References: we are preparing a list of scientific research reports with V010-5301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-5301?
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What is the minimum amount of V010-5301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-5301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-5301
  • 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 V010-5301 available by request