V030-5003 Screening compound: ethyl 1-(2-{[(3,3-diphenylpropyl)[(4-methylphenyl)methyl]amino]methyl}-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate

V030-5003 Screening compound: ethyl 1-(2-{[(3,3-diphenylpropyl)[(4-methylphenyl)methyl]amino]methyl}-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
V030-5003 Screening compound: ethyl 1-(2-{[(3,3-diphenylpropyl)[(4-methylphenyl)methyl]amino]methyl}-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5003
ethyl 1-(2-{[(3,3-diphenylpropyl)[(4-methylphenyl)methyl]amino]methyl}-1,3-thiazole-4-carbonyl)piperidine-4-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

V030-5003

Molecular Formula

C36H41N3O3S (C36 H41 N3 O3 S)

Compound Name

ethyl 1-(2-{[(3,3-diphenylpropyl)[(4-methylphenyl)methyl]amino]methyl}-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(2-{[(33-diphenylpropyl)[(4-methylphenyl)methyl]amino]methyl}-13-thiazole-4-carbonyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2ccc(C)cc2)n1)=O)=O

InChI

InChI=1S/C36H41N3O3S/c1-3-42-36(41)31-18-22-39(23-19-31)35(40)33-26-43-34(37-33)25-38(24-28-16-14-27(2)15-17-28)21-20-32(29-10-6-4-7-11-29)30-12-8-5-9-13-30/h4-17,26,31-32H,3,18-25H2,1-2H3

InChI Key

LXESHBGJFVSIRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19766799

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

595.81

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.954

Distribution Coefficient, logD

6.954

Water Solubility, LogSw

-5.59

Polar Surface Area

51.288

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.10

References: we are preparing a list of scientific research reports with V030-5003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5003?
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What is the minimum amount of V030-5003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5003
  • 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 V030-5003 available by request