V016-8490 Screening compound: 2-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[2-(pyrrolidin-1-yl)ethyl]pentanamide

V016-8490 Screening compound: 2-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[2-(pyrrolidin-1-yl)ethyl]pentanamide
V016-8490 Screening compound: 2-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[2-(pyrrolidin-1-yl)ethyl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8490
2-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[2-(pyrrolidin-1-yl)ethyl]pentanamide

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

V016-8490

Molecular Formula

C25H31ClN4O (C25 H31 ClN4 O)

Compound Name

2-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[2-(pyrrolidin-1-yl)ethyl]pentanamide

IUPAC name

2-{2-[(2-chlorophenyl)methyl]-1H-13-benzodiazol-1-yl}-N-[2-(pyrrolidin-1-yl)ethyl]pentanamide

SMILES

CCCC(C(NCCN1CCCC1)=O)n1c(cccc2)c2nc1Cc(cccc1)c1Cl

InChI

InChI=1S/C25H31ClN4O/c1-2-9-23(25(31)27-14-17-29-15-7-8-16-29)30-22-13-6-5-12-21(22)28-24(30)18-19-10-3-4-11-20(19)26/h3-6,10-13,23H,2,7-9,14-18H2,1H3,(H,27,31)/t23-/m0/s1

InChI Key

YWIOCDFVODFETE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19785582

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

439

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.105

Distribution Coefficient, logD

3.082

Water Solubility, LogSw

-5.37

Polar Surface Area

40.027

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

9.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

V016-8490 in Drug Discovery

Included in Screening Libraries

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 V016-8490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8490?
Check Price and Availability of V016-8490, 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 V016-8490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8490
  • 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 V016-8490 available by request