V025-4105 Screening compound: 4-[4-cyclopentaneamido-2-(pyrrolidine-1-carbonyl)phenyl]-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide

V025-4105 Screening compound: 4-[4-cyclopentaneamido-2-(pyrrolidine-1-carbonyl)phenyl]-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
V025-4105 Screening compound: 4-[4-cyclopentaneamido-2-(pyrrolidine-1-carbonyl)phenyl]-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-4105
4-[4-cyclopentaneamido-2-(pyrrolidine-1-carbonyl)phenyl]-N-(4-methoxyphenyl)-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

V025-4105

Molecular Formula

C30H39N5O4 (C30 H39 N5 O4)

Compound Name

4-[4-cyclopentaneamido-2-(pyrrolidine-1-carbonyl)phenyl]-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide

IUPAC name

4-[4-cyclopentaneamido-2-(pyrrolidine-1-carbonyl)phenyl]-N-(4-methoxyphenyl)-14-diazepane-1-carboxamide

SMILES

COc(cc1)ccc1NC(N(CCC1)CCN1c(ccc(NC(C1CCCC1)=O)c1)c1C(N1CCCC1)=O)=O

InChI

InChI=1S/C30H39N5O4/c1-39-25-12-9-23(10-13-25)32-30(38)35-18-6-17-33(19-20-35)27-14-11-24(31-28(36)22-7-2-3-8-22)21-26(27)29(37)34-15-4-5-16-34/h9-14,21-22H,2-8,15-20H2,1H3,(H,31,36)(H,32,38)

InChI Key

IOQJPGGRJZMMMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14255954

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

533.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.264

Distribution Coefficient, logD

4.260

Water Solubility, LogSw

-4.26

Polar Surface Area

77.205

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V025-4105 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V025-4105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-4105?
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What is the minimum amount of V025-4105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-4105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-4105
  • 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 V025-4105 available by request