V006-0691 Screening compound: 5-cyclobutaneamido-2-(4-cyclopropanecarbonyl-1,4-diazepan-1-yl)-N,N-diethylbenzamide

V006-0691 Screening compound: 5-cyclobutaneamido-2-(4-cyclopropanecarbonyl-1,4-diazepan-1-yl)-N,N-diethylbenzamide
V006-0691 Screening compound: 5-cyclobutaneamido-2-(4-cyclopropanecarbonyl-1,4-diazepan-1-yl)-N,N-diethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0691
5-cyclobutaneamido-2-(4-cyclopropanecarbonyl-1,4-diazepan-1-yl)-N,N-diethylbenzamide

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

V006-0691

Molecular Formula

C25H36N4O3 (C25 H36 N4 O3)

Compound Name

5-cyclobutaneamido-2-(4-cyclopropanecarbonyl-1,4-diazepan-1-yl)-N,N-diethylbenzamide

IUPAC name

5-cyclobutaneamido-2-(4-cyclopropanecarbonyl-14-diazepan-1-yl)-NN-diethylbenzamide

SMILES

CCN(CC)C(c(cc(cc1)NC(C2CCC2)=O)c1N(CCC1)CCN1C(C1CC1)=O)=O

InChI

InChI=1S/C25H36N4O3/c1-3-27(4-2)25(32)21-17-20(26-23(30)18-7-5-8-18)11-12-22(21)28-13-6-14-29(16-15-28)24(31)19-9-10-19/h11-12,17-19H,3-10,13-16H2,1-2H3,(H,26,30)

InChI Key

BVMHJQJCPKOXDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14255802

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

440.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.163

Distribution Coefficient, logD

2.163

Water Solubility, LogSw

-3.10

Polar Surface Area

60.247

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

8.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.00

V006-0691 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 V006-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0691?
Check Price and Availability of V006-0691, 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 V006-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0691
  • 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 V006-0691 available by request