V031-0314 Screening compound: 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-(morpholin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide

V031-0314 Screening compound: 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-(morpholin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide
V031-0314 Screening compound: 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-(morpholin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0314
1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-(morpholin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide

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

V031-0314

Molecular Formula

C26H27F4N3O2 (C26 H27 F4 N3 O2)

Compound Name

1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-(morpholin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide

IUPAC name

1-[(3-fluorophenyl)methyl]-35-dimethyl-4-(morpholin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide

SMILES

Cc1c(C(NCc2cc(C(F)(F)F)ccc2)=O)n(Cc2cccc(F)c2)c(C)c1N1CCOCC1

InChI

InChI=1S/C26H27F4N3O2/c1-17-23(32-9-11-35-12-10-32)18(2)33(16-20-6-4-8-22(27)14-20)24(17)25(34)31-15-19-5-3-7-21(13-19)26(28,29)30/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,31,34)

InChI Key

ZBFHHCRNKUJTQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19774032

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.830

Distribution Coefficient, logD

4.830

Water Solubility, LogSw

-4.64

Polar Surface Area

36.138

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

V031-0314 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 V031-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0314?
Check Price and Availability of V031-0314, 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 V031-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0314
  • 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 V031-0314 available by request