D491-4163 Screening compound: 2-(3,5-dimethylphenoxy)-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetamide

D491-4163 Screening compound: 2-(3,5-dimethylphenoxy)-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetamide
D491-4163 Screening compound: 2-(3,5-dimethylphenoxy)-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4163
2-(3,5-dimethylphenoxy)-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetamide

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

D491-4163

Molecular Formula

C19H20N2O4 (C19 H20 N2 O4)

Compound Name

2-(3,5-dimethylphenoxy)-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetamide

IUPAC name

2-(35-dimethylphenoxy)-N-(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)acetamide

SMILES

CC1Oc(ccc(NC(COc2cc(C)cc(C)c2)=O)c2)c2NC1=O

InChI

InChI=1S/C19H20N2O4/c1-11-6-12(2)8-15(7-11)24-10-18(22)20-14-4-5-17-16(9-14)21-19(23)13(3)25-17/h4-9,13H,10H2,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1

InChI Key

MAHYCPYEPYQIMU-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD10932796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.368

Distribution Coefficient, logD

3.368

Water Solubility, LogSw

-3.43

Polar Surface Area

63.224

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

D491-4163 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D491-4163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4163?
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What is the minimum amount of D491-4163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4163
  • 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 D491-4163 available by request