8018-3704 Screening compound: 4-[3-(4-methoxyphenyl)propanamido]-N-[(oxolan-2-yl)methyl]benzamide

8018-3704 Screening compound: 4-[3-(4-methoxyphenyl)propanamido]-N-[(oxolan-2-yl)methyl]benzamide
8018-3704 Screening compound: 4-[3-(4-methoxyphenyl)propanamido]-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3704
4-[3-(4-methoxyphenyl)propanamido]-N-[(oxolan-2-yl)methyl]benzamide

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

8018-3704

Molecular Formula

C22H26N2O4 (C22 H26 N2 O4)

Compound Name

4-[3-(4-methoxyphenyl)propanamido]-N-[(oxolan-2-yl)methyl]benzamide

IUPAC name

4-[3-(4-methoxyphenyl)propanamido]-N-[(oxolan-2-yl)methyl]benzamide

SMILES

COc1ccc(CCC(Nc(cc2)ccc2C(NCC2OCCC2)=O)=O)cc1

InChI

InChI=1S/C22H26N2O4/c1-27-19-11-4-16(5-12-19)6-13-21(25)24-18-9-7-17(8-10-18)22(26)23-15-20-3-2-14-28-20/h4-5,7-12,20H,2-3,6,13-15H2,1H3,(H,23,26)(H,24,25)/t20-/m1/s1

InChI Key

NUBRFVNSPGKWGC-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD07658261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.427

Distribution Coefficient, logD

2.426

Water Solubility, LogSw

-2.83

Polar Surface Area

63.728

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

8018-3704 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8018-3704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3704?
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What is the minimum amount of 8018-3704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3704
  • 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 8018-3704 available by request