D491-4169 Screening compound: N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)pentanamide

D491-4169 Screening compound: N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)pentanamide
D491-4169 Screening compound: N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4169
N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)pentanamide

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

D491-4169

Molecular Formula

C14H18N2O3 (C14 H18 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(Nc(cc1)cc(N2)c1OC(C)C2=O)=O

InChI

InChI=1S/C14H18N2O3/c1-3-4-5-13(17)15-10-6-7-12-11(8-10)16-14(18)9(2)19-12/h6-9H,3-5H2,1-2H3,(H,15,17)(H,16,18)/t9-/m0/s1

InChI Key

LDPXJPNUIDQJIP-VIFPVBQESA-N

MDL Number (MFCD)

MFCD10060887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.140

Distribution Coefficient, logD

2.140

Water Solubility, LogSw

-2.94

Polar Surface Area

55.996

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

D491-4169 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D491-4169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4169?
Check Price and Availability of D491-4169, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D491-4169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4169
  • 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 D491-4169 available by request