V025-0849 Screening compound: 4-[4-cyclopentaneamido-2-(piperidine-1-carbonyl)phenyl]-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide

V025-0849 Screening compound: 4-[4-cyclopentaneamido-2-(piperidine-1-carbonyl)phenyl]-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide
V025-0849 Screening compound: 4-[4-cyclopentaneamido-2-(piperidine-1-carbonyl)phenyl]-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-0849
4-[4-cyclopentaneamido-2-(piperidine-1-carbonyl)phenyl]-N-(2-fluorophenyl)-1,4-diazepane-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

V025-0849

Molecular Formula

C30H38FN5O3 (C30 H38 FN5 O3)

Compound Name

4-[4-cyclopentaneamido-2-(piperidine-1-carbonyl)phenyl]-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide

IUPAC name

4-[4-cyclopentaneamido-2-(piperidine-1-carbonyl)phenyl]-N-(2-fluorophenyl)-14-diazepane-1-carboxamide

SMILES

O=C(C1CCCC1)Nc(cc1)cc(C(N2CCCCC2)=O)c1N(CCC1)CCN1C(Nc(cccc1)c1F)=O

InChI

InChI=1S/C30H38FN5O3/c31-25-11-4-5-12-26(25)33-30(39)36-18-8-17-34(19-20-36)27-14-13-23(32-28(37)22-9-2-3-10-22)21-24(27)29(38)35-15-6-1-7-16-35/h4-5,11-14,21-22H,1-3,6-10,15-20H2,(H,32,37)(H,33,39)

InChI Key

NXTSGTGETHUEKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14259488

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

535.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.745

Distribution Coefficient, logD

4.741

Water Solubility, LogSw

-4.55

Polar Surface Area

68.598

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V025-0849 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V025-0849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-0849?
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What is the minimum amount of V025-0849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-0849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-0849
  • 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 V025-0849 available by request