V025-0841 Screening compound: 4-[4-chloro-3-(2-{N-[(4-fluorophenyl)methyl]propanamido}acetamido)phenyl]-N-(propan-2-yl)piperazine-1-carboxamide

V025-0841 Screening compound: 4-[4-chloro-3-(2-{N-[(4-fluorophenyl)methyl]propanamido}acetamido)phenyl]-N-(propan-2-yl)piperazine-1-carboxamide
V025-0841 Screening compound: 4-[4-chloro-3-(2-{N-[(4-fluorophenyl)methyl]propanamido}acetamido)phenyl]-N-(propan-2-yl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-0841
4-[4-chloro-3-(2-{N-[(4-fluorophenyl)methyl]propanamido}acetamido)phenyl]-N-(propan-2-yl)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

V025-0841

Molecular Formula

C26H33ClFN5O3 (C26 H33 ClFN5 O3)

Compound Name

4-[4-chloro-3-(2-{N-[(4-fluorophenyl)methyl]propanamido}acetamido)phenyl]-N-(propan-2-yl)piperazine-1-carboxamide

IUPAC name

4-[4-chloro-3-(2-{N-[(4-fluorophenyl)methyl]propanamido}acetamido)phenyl]-N-(propan-2-yl)piperazine-1-carboxamide

SMILES

CCC(N(CC(Nc(cc(cc1)N(CC2)CCN2C(NC(C)C)=O)c1Cl)=O)Cc(cc1)ccc1F)=O

InChI

InChI=1S/C26H33ClFN5O3/c1-4-25(35)33(16-19-5-7-20(28)8-6-19)17-24(34)30-23-15-21(9-10-22(23)27)31-11-13-32(14-12-31)26(36)29-18(2)3/h5-10,15,18H,4,11-14,16-17H2,1-3H3,(H,29,36)(H,30,34)

InChI Key

XBAUASJNWOTLCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14260101

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

518.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.510

Distribution Coefficient, logD

3.509

Water Solubility, LogSw

-3.68

Polar Surface Area

67.671

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

V025-0841 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V025-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-0841?
Check Price and Availability of V025-0841, 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 V025-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-0841
  • 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 V025-0841 available by request