M341-0641 Screening compound: 2-oxo-N-phenyl-3-({[(pyridin-2-yl)methyl]carbamoyl}methyl)-2,3-dihydro-1,3-benzoxazole-5-carboxamide

M341-0641 Screening compound: 2-oxo-N-phenyl-3-({[(pyridin-2-yl)methyl]carbamoyl}methyl)-2,3-dihydro-1,3-benzoxazole-5-carboxamide
M341-0641 Screening compound: 2-oxo-N-phenyl-3-({[(pyridin-2-yl)methyl]carbamoyl}methyl)-2,3-dihydro-1,3-benzoxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M341-0641
2-oxo-N-phenyl-3-({[(pyridin-2-yl)methyl]carbamoyl}methyl)-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

M341-0641

Molecular Formula

C22H18N4O4 (C22 H18 N4 O4)

Compound Name

2-oxo-N-phenyl-3-({[(pyridin-2-yl)methyl]carbamoyl}methyl)-2,3-dihydro-1,3-benzoxazole-5-carboxamide

IUPAC name

2-oxo-N-phenyl-3-({[(pyridin-2-yl)methyl]carbamoyl}methyl)-23-dihydro-13-benzoxazole-5-carboxamide

SMILES

O=C(CN(c(cc(cc1)C(Nc2ccccc2)=O)c1O1)C1=O)NCc1ncccc1

InChI

InChI=1S/C22H18N4O4/c27-20(24-13-17-8-4-5-11-23-17)14-26-18-12-15(9-10-19(18)30-22(26)29)21(28)25-16-6-2-1-3-7-16/h1-12H,13-14H2,(H,24,27)(H,25,28)

InChI Key

HWBGROGCAWNHBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27537531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.007

Distribution Coefficient, logD

2.006

Water Solubility, LogSw

-2.81

Polar Surface Area

80.173

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

M341-0641 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with M341-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M341-0641?
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What is the minimum amount of M341-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M341-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M341-0641
  • 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 M341-0641 available by request