D491-4184 Screening compound: N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-propoxybenzamide

D491-4184 Screening compound: N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-propoxybenzamide
D491-4184 Screening compound: N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4184
N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-propoxybenzamide

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

D491-4184

Molecular Formula

C19H20N2O4 (C19 H20 N2 O4)

Compound Name

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

IUPAC name

N-(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-2-propoxybenzamide

SMILES

CCCOc(cccc1)c1C(Nc(cc1)cc(N2)c1OC(C)C2=O)=O

InChI

InChI=1S/C19H20N2O4/c1-3-10-24-16-7-5-4-6-14(16)19(23)20-13-8-9-17-15(11-13)21-18(22)12(2)25-17/h4-9,11-12H,3,10H2,1-2H3,(H,20,23)(H,21,22)/t12-/m0/s1

InChI Key

ZLKPNKILEUVIGH-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD12921948

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

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.406

Distribution Coefficient, logD

3.383

Water Solubility, LogSw

-3.77

Polar Surface Area

63.442

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

D491-4184 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D491-4184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4184?
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What is the minimum amount of D491-4184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4184
  • 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 D491-4184 available by request