V011-6758 Screening compound: N-{6-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-(trifluoromethyl)benzamide

V011-6758 Screening compound: N-{6-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-(trifluoromethyl)benzamide
V011-6758 Screening compound: N-{6-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-6758
N-{6-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-(trifluoromethyl)benzamide

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

V011-6758

Molecular Formula

C25H22ClF3N4O2 (C25 H22 ClF3 N4 O2)

Compound Name

N-{6-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-2-(trifluoromethyl)benzamide

IUPAC name

N-{6-[4-(2-chlorobenzoyl)-14-diazepan-1-yl]pyridin-3-yl}-2-(trifluoromethyl)benzamide

SMILES

O=C(c1c(C(F)(F)F)cccc1)Nc(cc1)cnc1N(CCC1)CCN1C(c(cccc1)c1Cl)=O

InChI

InChI=1S/C25H22ClF3N4O2/c26-21-9-4-2-7-19(21)24(35)33-13-5-12-32(14-15-33)22-11-10-17(16-30-22)31-23(34)18-6-1-3-8-20(18)25(27,28)29/h1-4,6-11,16H,5,12-15H2,(H,31,34)

InChI Key

SJVKBIFRVPZNTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19911610

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

502.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.726

Distribution Coefficient, logD

4.469

Water Solubility, LogSw

-4.86

Polar Surface Area

52.170

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

V011-6758 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with V011-6758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-6758?
Check Price and Availability of V011-6758, 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 V011-6758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-6758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-6758
  • 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 V011-6758 available by request