V014-4607 Screening compound: methyl 2-(4-tert-butylphenyl)-2-{4-[3-fluoro-5-(trifluoromethyl)benzamido]cyclopent-2-en-1-yl}acetate

V014-4607 Screening compound: methyl 2-(4-tert-butylphenyl)-2-{4-[3-fluoro-5-(trifluoromethyl)benzamido]cyclopent-2-en-1-yl}acetate
V014-4607 Screening compound: methyl 2-(4-tert-butylphenyl)-2-{4-[3-fluoro-5-(trifluoromethyl)benzamido]cyclopent-2-en-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4607
methyl 2-(4-tert-butylphenyl)-2-{4-[3-fluoro-5-(trifluoromethyl)benzamido]cyclopent-2-en-1-yl}acetate

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

V014-4607

Molecular Formula

C26H27F4NO3 (C26 H27 F4 NO3)

Compound Name

methyl 2-(4-tert-butylphenyl)-2-{4-[3-fluoro-5-(trifluoromethyl)benzamido]cyclopent-2-en-1-yl}acetate

IUPAC name

methyl 2-(4-tert-butylphenyl)-2-{4-[3-fluoro-5-(trifluoromethyl)benzamido]cyclopent-2-en-1-yl}acetate

SMILES

CC(C)(C)c1ccc(C(C(C2)C=CC2NC(c2cc(C(F)(F)F)cc(F)c2)=O)C(OC)=O)cc1

InChI

InChI=1S/C26H27F4NO3/c1-25(2,3)18-8-5-15(6-9-18)22(24(33)34-4)16-7-10-21(13-16)31-23(32)17-11-19(26(28,29)30)14-20(27)12-17/h5-12,14,16,21-22H,13H2,1-4H3,(H,31,32)

InChI Key

ANHCEJONYLDDGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.759

Distribution Coefficient, logD

6.758

Water Solubility, LogSw

-5.61

Polar Surface Area

45.645

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

38.50

V014-4607 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V014-4607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4607?
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What is the minimum amount of V014-4607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4607
  • 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 V014-4607 available by request