D491-4229 Screening compound: N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide

D491-4229 Screening compound: N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide
D491-4229 Screening compound: N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4229
N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-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

D491-4229

Molecular Formula

C19H15N3O4 (C19 H15 N3 O4)

Compound Name

N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide

IUPAC name

N-(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-5-phenyl-12-oxazole-3-carboxamide

SMILES

CC1Oc(ccc(NC(c2noc(-c3ccccc3)c2)=O)c2)c2NC1=O

InChI

InChI=1S/C19H15N3O4/c1-11-18(23)21-14-9-13(7-8-16(14)25-11)20-19(24)15-10-17(26-22-15)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,24)(H,21,23)/t11-/m0/s1

InChI Key

PRJPROBWDAIRQB-NSHDSACASA-N

MDL Number (MFCD)

MFCD18076653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.157

Distribution Coefficient, logD

3.157

Water Solubility, LogSw

-3.47

Polar Surface Area

77.473

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

D491-4229 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 D491-4229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4229?
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What is the minimum amount of D491-4229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4229
  • 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 D491-4229 available by request