V014-8083 Screening compound: 4-fluoro-N-({1-[(4-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)-N-(propan-2-yl)benzamide

V014-8083 Screening compound: 4-fluoro-N-({1-[(4-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)-N-(propan-2-yl)benzamide
V014-8083 Screening compound: 4-fluoro-N-({1-[(4-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-8083
4-fluoro-N-({1-[(4-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)-N-(propan-2-yl)benzamide

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

V014-8083

Molecular Formula

C29H29F4N3O3 (C29 H29 F4 N3 O3)

Compound Name

4-fluoro-N-({1-[(4-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)-N-(propan-2-yl)benzamide

IUPAC name

4-fluoro-N-({1-[(4-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)-N-(propan-2-yl)benzamide

SMILES

CC(C)N(CC(CN(Cc(cc1)ccc1[N+]([O-])=O)C1)C1c1cc(C(F)(F)F)ccc1)C(c(cc1)ccc1F)=O

InChI

InChI=1S/C29H29F4N3O3/c1-19(2)35(28(37)21-8-10-25(30)11-9-21)17-23-16-34(15-20-6-12-26(13-7-20)36(38)39)18-27(23)22-4-3-5-24(14-22)29(31,32)33/h3-14,19,23,27H,15-18H2,1-2H3

InChI Key

CTVVXNGNSQZUGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19922470

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

543.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.404

Distribution Coefficient, logD

3.667

Water Solubility, LogSw

-5.71

Polar Surface Area

53.269

Acid Dissociation Constant (pKa)

23.12

Base Dissociation Constant (pKb)

10.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

V014-8083 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V014-8083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-8083?
Check Price and Availability of V014-8083, 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 V014-8083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-8083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-8083
  • 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 V014-8083 available by request