8012-7904 Screening compound: ethyl 1-{[(3-bromo-4-methylphenyl)carbamoyl]methyl}-4-phenylpiperidine-4-carboxylate

8012-7904 Screening compound: ethyl 1-{[(3-bromo-4-methylphenyl)carbamoyl]methyl}-4-phenylpiperidine-4-carboxylate
8012-7904 Screening compound: ethyl 1-{[(3-bromo-4-methylphenyl)carbamoyl]methyl}-4-phenylpiperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7904
ethyl 1-{[(3-bromo-4-methylphenyl)carbamoyl]methyl}-4-phenylpiperidine-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

8012-7904

Molecular Formula

C23H27BrN2O3 (C23 H27 BrN2 O3)

Compound Name

ethyl 1-{[(3-bromo-4-methylphenyl)carbamoyl]methyl}-4-phenylpiperidine-4-carboxylate

IUPAC name

ethyl 1-{[(3-bromo-4-methylphenyl)carbamoyl]methyl}-4-phenylpiperidine-4-carboxylate

SMILES

CCOC(C1(CCN(CC(Nc2cc(Br)c(C)cc2)=O)CC1)c1ccccc1)=O

InChI

InChI=1S/C23H27BrN2O3/c1-3-29-22(28)23(18-7-5-4-6-8-18)11-13-26(14-12-23)16-21(27)25-19-10-9-17(2)20(24)15-19/h4-10,15H,3,11-14,16H2,1-2H3,(H,25,27)

InChI Key

SCGPBECJQKUHHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.487

Distribution Coefficient, logD

5.470

Water Solubility, LogSw

-5.30

Polar Surface Area

47.602

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

8012-7904 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-7904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7904?
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What is the minimum amount of 8012-7904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7904
  • 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 8012-7904 available by request