V009-4085 Screening compound: N-(2-fluorophenyl)-4-[4-(3-methylbutanamido)-2-(piperidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide

V009-4085 Screening compound: N-(2-fluorophenyl)-4-[4-(3-methylbutanamido)-2-(piperidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide
V009-4085 Screening compound: N-(2-fluorophenyl)-4-[4-(3-methylbutanamido)-2-(piperidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-4085
N-(2-fluorophenyl)-4-[4-(3-methylbutanamido)-2-(piperidine-1-carbonyl)phenyl]-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

V009-4085

Molecular Formula

C29H38FN5O3 (C29 H38 FN5 O3)

Compound Name

N-(2-fluorophenyl)-4-[4-(3-methylbutanamido)-2-(piperidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide

IUPAC name

N-(2-fluorophenyl)-4-[4-(3-methylbutanamido)-2-(piperidine-1-carbonyl)phenyl]-14-diazepane-1-carboxamide

SMILES

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

InChI

InChI=1S/C29H38FN5O3/c1-21(2)19-27(36)31-22-11-12-26(23(20-22)28(37)34-13-6-3-7-14-34)33-15-8-16-35(18-17-33)29(38)32-25-10-5-4-9-24(25)30/h4-5,9-12,20-21H,3,6-8,13-19H2,1-2H3,(H,31,36)(H,32,38)

InChI Key

AIFJZNMVQOSENF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14259484

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

523.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.774

Distribution Coefficient, logD

4.770

Water Solubility, LogSw

-4.40

Polar Surface Area

68.098

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.30

V009-4085 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V009-4085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-4085?
Check Price and Availability of V009-4085, 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 V009-4085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-4085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-4085
  • 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 V009-4085 available by request