V014-0072 Screening compound: 5,6-dichloro-2-[(2-fluorophenyl)methyl]-1-{[4-(morpholine-4-carbonyl)phenyl]methyl}-1H-1,3-benzodiazole

V014-0072 Screening compound: 5,6-dichloro-2-[(2-fluorophenyl)methyl]-1-{[4-(morpholine-4-carbonyl)phenyl]methyl}-1H-1,3-benzodiazole
V014-0072 Screening compound: 5,6-dichloro-2-[(2-fluorophenyl)methyl]-1-{[4-(morpholine-4-carbonyl)phenyl]methyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-0072
5,6-dichloro-2-[(2-fluorophenyl)methyl]-1-{[4-(morpholine-4-carbonyl)phenyl]methyl}-1H-1,3-benzodiazole

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

V014-0072

Molecular Formula

C26H22Cl2FN3O2 (C26 H22 Cl2 FN3 O2)

Compound Name

5,6-dichloro-2-[(2-fluorophenyl)methyl]-1-{[4-(morpholine-4-carbonyl)phenyl]methyl}-1H-1,3-benzodiazole

IUPAC name

56-dichloro-2-[(2-fluorophenyl)methyl]-1-{[4-(morpholine-4-carbonyl)phenyl]methyl}-1H-13-benzodiazole

SMILES

O=C(c1ccc(Cn(c(Cc(cccc2)c2F)nc2c3)c2cc(Cl)c3Cl)cc1)N1CCOCC1

InChI

InChI=1S/C26H22Cl2FN3O2/c27-20-14-23-24(15-21(20)28)32(25(30-23)13-19-3-1-2-4-22(19)29)16-17-5-7-18(8-6-17)26(33)31-9-11-34-12-10-31/h1-8,14-15H,9-13,16H2

InChI Key

KLBJUAAMRCPGFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27627523

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

498.38

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

5.512

Distribution Coefficient, logD

5.509

Water Solubility, LogSw

-6.06

Polar Surface Area

35.429

Acid Dissociation Constant (pKa)

21.59

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V014-0072 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V014-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-0072?
Check Price and Availability of V014-0072, 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 V014-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-0072
  • 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 V014-0072 available by request