8012-9329 Screening compound: 1-[2-(4-ethoxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide

8012-9329 Screening compound: 1-[2-(4-ethoxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
8012-9329 Screening compound: 1-[2-(4-ethoxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9329
1-[2-(4-ethoxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-N-(4-methoxyphenyl)cyclohexane-1-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

8012-9329

Molecular Formula

C26H32N2O5 (C26 H32 N2 O5)

Compound Name

1-[2-(4-ethoxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide

IUPAC name

1-[2-(4-ethoxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-N-(4-methoxyphenyl)cyclohexane-1-carboxamide

SMILES

CCOc(ccc(C(C1)N(C2(CCCCC2)C(Nc(cc2)ccc2OC)=O)C1=O)c1)c1OC

InChI

InChI=1S/C26H32N2O5/c1-4-33-22-13-8-18(16-23(22)32-3)21-17-24(29)28(21)26(14-6-5-7-15-26)25(30)27-19-9-11-20(31-2)12-10-19/h8-13,16,21H,4-7,14-15,17H2,1-3H3,(H,27,30)/t21-/m1/s1

InChI Key

RKJALLXZQHLVAY-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03308296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.278

Distribution Coefficient, logD

4.278

Water Solubility, LogSw

-4.26

Polar Surface Area

61.388

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

8012-9329 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-9329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9329?
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What is the minimum amount of 8012-9329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9329
  • 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 8012-9329 available by request