V014-4540 Screening compound: ethyl 1-[2-(4-{N-[(3-fluorophenyl)methyl]2-methylbenzamido}phenyl)acetyl]piperidine-3-carboxylate

V014-4540 Screening compound: ethyl 1-[2-(4-{N-[(3-fluorophenyl)methyl]2-methylbenzamido}phenyl)acetyl]piperidine-3-carboxylate
V014-4540 Screening compound: ethyl 1-[2-(4-{N-[(3-fluorophenyl)methyl]2-methylbenzamido}phenyl)acetyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4540
ethyl 1-[2-(4-{N-[(3-fluorophenyl)methyl]2-methylbenzamido}phenyl)acetyl]piperidine-3-carboxylate

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

V014-4540

Molecular Formula

C31H33FN2O4 (C31 H33 FN2 O4)

Compound Name

ethyl 1-[2-(4-{N-[(3-fluorophenyl)methyl]2-methylbenzamido}phenyl)acetyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[2-(4-{N-[(3-fluorophenyl)methyl]2-methylbenzamido}phenyl)acetyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(Cc(cc1)ccc1N(Cc1cccc(F)c1)C(c1c(C)cccc1)=O)=O)=O

InChI

InChI=1S/C31H33FN2O4/c1-3-38-31(37)25-10-7-17-33(21-25)29(35)19-23-13-15-27(16-14-23)34(20-24-9-6-11-26(32)18-24)30(36)28-12-5-4-8-22(28)2/h4-6,8-9,11-16,18,25H,3,7,10,17,19-21H2,1-2H3/t25-/m0/s1

InChI Key

YIYSGQIKXJDKTL-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19904063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.436

Distribution Coefficient, logD

5.436

Water Solubility, LogSw

-5.30

Polar Surface Area

52.398

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

V014-4540 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 V014-4540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4540?
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What is the minimum amount of V014-4540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4540
  • 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 V014-4540 available by request