V014-0083 Screening compound: 2-{5,6-dichloro-2-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-1-yl}-1-(4-ethylpiperazin-1-yl)ethan-1-one

V014-0083 Screening compound: 2-{5,6-dichloro-2-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-1-yl}-1-(4-ethylpiperazin-1-yl)ethan-1-one
V014-0083 Screening compound: 2-{5,6-dichloro-2-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-1-yl}-1-(4-ethylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-0083
2-{5,6-dichloro-2-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-1-yl}-1-(4-ethylpiperazin-1-yl)ethan-1-one

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

V014-0083

Molecular Formula

C23H26Cl2N4O (C23 H26 Cl2 N4 O)

Compound Name

2-{5,6-dichloro-2-[(3-methylphenyl)methyl]-1H-1,3-benzodiazol-1-yl}-1-(4-ethylpiperazin-1-yl)ethan-1-one

IUPAC name

2-{56-dichloro-2-[(3-methylphenyl)methyl]-1H-13-benzodiazol-1-yl}-1-(4-ethylpiperazin-1-yl)ethan-1-one

SMILES

CCN(CC1)CCN1C(Cn(c(Cc1cc(C)ccc1)nc1c2)c1cc(Cl)c2Cl)=O

InChI

InChI=1S/C23H26Cl2N4O/c1-3-27-7-9-28(10-8-27)23(30)15-29-21-14-19(25)18(24)13-20(21)26-22(29)12-17-6-4-5-16(2)11-17/h4-6,11,13-14H,3,7-10,12,15H2,1-2H3

InChI Key

SZBPTDABIGDSID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27627529

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

445.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.881

Distribution Coefficient, logD

4.646

Water Solubility, LogSw

-4.85

Polar Surface Area

30.801

Acid Dissociation Constant (pKa)

17.42

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

V014-0083 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 V014-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-0083?
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What is the minimum amount of V014-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-0083
  • 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 V014-0083 available by request