V001-6050 Screening compound: benzyl N-(4-oxo-4-{4-[(3-{5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]piperazin-1-yl}butyl)carbamate

V001-6050 Screening compound: benzyl N-(4-oxo-4-{4-[(3-{5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]piperazin-1-yl}butyl)carbamate
V001-6050 Screening compound: benzyl N-(4-oxo-4-{4-[(3-{5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]piperazin-1-yl}butyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-6050
benzyl N-(4-oxo-4-{4-[(3-{5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]piperazin-1-yl}butyl)carbamate

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

V001-6050

Molecular Formula

C32H32F3N5O4 (C32 H32 F3 N5 O4)

Compound Name

benzyl N-(4-oxo-4-{4-[(3-{5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]piperazin-1-yl}butyl)carbamate

IUPAC name

benzyl N-(4-oxo-4-{4-[(3-{5-[3-(trifluoromethyl)phenyl]-124-oxadiazol-3-yl}phenyl)methyl]piperazin-1-yl}butyl)carbamate

SMILES

O=C(CCCNC(OCc1ccccc1)=O)N1CCN(Cc2cccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)c2)CC1

InChI

InChI=1S/C32H32F3N5O4/c33-32(34,35)27-12-5-11-26(20-27)30-37-29(38-44-30)25-10-4-9-24(19-25)21-39-15-17-40(18-16-39)28(41)13-6-14-36-31(42)43-22-23-7-2-1-3-8-23/h1-5,7-12,19-20H,6,13-18,21-22H2,(H,36,42)

InChI Key

PMXZYGLFDBVFGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19962321

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

607.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.397

Distribution Coefficient, logD

5.397

Water Solubility, LogSw

-5.81

Polar Surface Area

84.288

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

V001-6050 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V001-6050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-6050?
Check Price and Availability of V001-6050, 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 V001-6050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-6050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-6050
  • 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 V001-6050 available by request