V017-6871 Screening compound: 2-CHLORO-N-{4-[2-(2-METHOXYPHENYL)ETHYL]-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL}BENZAMIDE

V017-6871 Screening compound: 2-CHLORO-N-{4-[2-(2-METHOXYPHENYL)ETHYL]-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL}BENZAMIDE
V017-6871 Screening compound: 2-CHLORO-N-{4-[2-(2-METHOXYPHENYL)ETHYL]-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL}BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-6871
2-CHLORO-N-{4-[2-(2-METHOXYPHENYL)ETHYL]-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL}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

V017-6871

Molecular Formula

C25H23ClN2O4 (C25 H23 ClN2 O4)

Compound Name

2-CHLORO-N-{4-[2-(2-METHOXYPHENYL)ETHYL]-3-OXO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-7-YL}BENZAMIDE

IUPAC name

n/a

SMILES

COc1c(CCN(Cc(cc(cc2)NC(c(cccc3)c3Cl)=O)c2OC2)C2=O)cccc1

InChI

InChI=1S/C25H23ClN2O4/c1-31-22-9-5-2-6-17(22)12-13-28-15-18-14-19(10-11-23(18)32-16-24(28)29)27-25(30)20-7-3-4-8-21(20)26/h2-11,14H,12-13,15-16H2,1H3,(H,27,30)

InChI Key

LAOMZFWKNSJJTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19849871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.917

Water Solubility, LogSw

-4.24

Polar Surface Area

56.277

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V017-6871 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V017-6871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-6871?
Check Price and Availability of V017-6871, 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 V017-6871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-6871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-6871
  • 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 V017-6871 available by request