V014-5645 Screening compound: N-{[4-(3-fluorophenyl)-1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]methyl}-N-(2-methoxyethyl)-2-methylpropanamide

V014-5645 Screening compound: N-{[4-(3-fluorophenyl)-1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]methyl}-N-(2-methoxyethyl)-2-methylpropanamide
V014-5645 Screening compound: N-{[4-(3-fluorophenyl)-1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]methyl}-N-(2-methoxyethyl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-5645
N-{[4-(3-fluorophenyl)-1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]methyl}-N-(2-methoxyethyl)-2-methylpropanamide

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

V014-5645

Molecular Formula

C25H32FN3O4 (C25 H32 FN3 O4)

Compound Name

N-{[4-(3-fluorophenyl)-1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]methyl}-N-(2-methoxyethyl)-2-methylpropanamide

IUPAC name

N-{[4-(3-fluorophenyl)-1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]methyl}-N-(2-methoxyethyl)-2-methylpropanamide

SMILES

CC(C)C(N(CCOC)CC(CN(Cc(cc1)ccc1[N+]([O-])=O)C1)C1c1cccc(F)c1)=O

InChI

InChI=1S/C25H32FN3O4/c1-18(2)25(30)28(11-12-33-3)16-21-15-27(14-19-7-9-23(10-8-19)29(31)32)17-24(21)20-5-4-6-22(26)13-20/h4-10,13,18,21,24H,11-12,14-17H2,1-3H3

InChI Key

FJZRMNQQFVETCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19932026

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.120

Distribution Coefficient, logD

2.514

Water Solubility, LogSw

-4.22

Polar Surface Area

62.117

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

9.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.00

V014-5645 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 V014-5645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-5645?
Check Price and Availability of V014-5645, 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 V014-5645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-5645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-5645
  • 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 V014-5645 available by request