V014-1331 Screening compound: 1-{[5-(2-methylphenyl)isoquinolin-8-yl]methyl}-3-[4-(propan-2-yl)phenyl]urea

V014-1331 Screening compound: 1-{[5-(2-methylphenyl)isoquinolin-8-yl]methyl}-3-[4-(propan-2-yl)phenyl]urea
V014-1331 Screening compound: 1-{[5-(2-methylphenyl)isoquinolin-8-yl]methyl}-3-[4-(propan-2-yl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-1331
1-{[5-(2-methylphenyl)isoquinolin-8-yl]methyl}-3-[4-(propan-2-yl)phenyl]urea

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

V014-1331

Molecular Formula

C27H27N3O (C27 H27 N3 O)

Compound Name

1-{[5-(2-methylphenyl)isoquinolin-8-yl]methyl}-3-[4-(propan-2-yl)phenyl]urea

IUPAC name

1-{[5-(2-methylphenyl)isoquinolin-8-yl]methyl}-3-[4-(propan-2-yl)phenyl]urea

SMILES

CC(C)c(cc1)ccc1NC(NCc1ccc(-c2c(C)cccc2)c2ccncc12)=O

InChI

InChI=1S/C27H27N3O/c1-18(2)20-8-11-22(12-9-20)30-27(31)29-16-21-10-13-24(23-7-5-4-6-19(23)3)25-14-15-28-17-26(21)25/h4-15,17-18H,16H2,1-3H3,(H2,29,30,31)

InChI Key

QSLLRDACYAUYEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19842469

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.727

Distribution Coefficient, logD

6.727

Water Solubility, LogSw

-5.64

Polar Surface Area

42.838

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

V014-1331 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Antibacterial Compounds Library (13827 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V014-1331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-1331?
Check Price and Availability of V014-1331, 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 V014-1331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-1331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-1331
  • 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 V014-1331 available by request