V027-8207 Screening compound: 4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(3-methylbutanamido)phenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

V027-8207 Screening compound: 4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(3-methylbutanamido)phenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
V027-8207 Screening compound: 4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(3-methylbutanamido)phenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8207
4-(2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(3-methylbutanamido)phenyl)-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

V027-8207

Molecular Formula

C31H33F4N5O3 (C31 H33 F4 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C31H33F4N5O3/c1-20(2)16-28(41)37-25-10-11-27(26(18-25)29(42)36-19-21-6-8-23(32)9-7-21)39-12-14-40(15-13-39)30(43)38-24-5-3-4-22(17-24)31(33,34)35/h3-11,17-18,20H,12-16,19H2,1-2H3,(H,36,42)(H,37,41)(H,38,43)

InChI Key

PYDSLZCQOOWZCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19819085

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

599.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.081

Distribution Coefficient, logD

6.081

Water Solubility, LogSw

-5.63

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

32.30

V027-8207 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V027-8207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8207?
Check Price and Availability of V027-8207, 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 V027-8207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8207
  • 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 V027-8207 available by request