M341-1064 Screening compound: 3-({[(3,4-dimethoxyphenyl)methyl]carbamoyl}methyl)-N-(4-methylphenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide

M341-1064 Screening compound: 3-({[(3,4-dimethoxyphenyl)methyl]carbamoyl}methyl)-N-(4-methylphenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide
M341-1064 Screening compound: 3-({[(3,4-dimethoxyphenyl)methyl]carbamoyl}methyl)-N-(4-methylphenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M341-1064
3-({[(3,4-dimethoxyphenyl)methyl]carbamoyl}methyl)-N-(4-methylphenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-5-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

M341-1064

Molecular Formula

C26H25N3O6 (C26 H25 N3 O6)

Compound Name

3-({[(3,4-dimethoxyphenyl)methyl]carbamoyl}methyl)-N-(4-methylphenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxamide

IUPAC name

3-({[(34-dimethoxyphenyl)methyl]carbamoyl}methyl)-N-(4-methylphenyl)-2-oxo-23-dihydro-13-benzoxazole-5-carboxamide

SMILES

Cc(cc1)ccc1NC(c(cc1)cc(N2CC(NCc(cc3)cc(OC)c3OC)=O)c1OC2=O)=O

InChI

InChI=1S/C26H25N3O6/c1-16-4-8-19(9-5-16)28-25(31)18-7-11-21-20(13-18)29(26(32)35-21)15-24(30)27-14-17-6-10-22(33-2)23(12-17)34-3/h4-13H,14-15H2,1-3H3,(H,27,30)(H,28,31)

InChI Key

NCNPQVWBBQKICB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27537562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.147

Distribution Coefficient, logD

3.147

Water Solubility, LogSw

-3.49

Polar Surface Area

85.891

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

M341-1064 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 M341-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M341-1064?
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What is the minimum amount of M341-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M341-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M341-1064
  • 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 M341-1064 available by request