D491-4119 Screening compound: 4-bromo-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)benzamide

D491-4119 Screening compound: 4-bromo-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)benzamide
D491-4119 Screening compound: 4-bromo-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4119
4-bromo-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)benzamide

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

D491-4119

Molecular Formula

C16H13BrN2O3 (C16 H13 BrN2 O3)

Compound Name

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

IUPAC name

4-bromo-N-(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)benzamide

SMILES

CC1Oc(ccc(NC(c(cc2)ccc2Br)=O)c2)c2NC1=O

InChI

InChI=1S/C16H13BrN2O3/c1-9-15(20)19-13-8-12(6-7-14(13)22-9)18-16(21)10-2-4-11(17)5-3-10/h2-9H,1H3,(H,18,21)(H,19,20)/t9-/m1/s1

InChI Key

PXISDNJHSGOULT-SECBINFHSA-N

MDL Number (MFCD)

MFCD09296472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.285

Distribution Coefficient, logD

3.274

Water Solubility, LogSw

-3.53

Polar Surface Area

55.938

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

D491-4119 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 D491-4119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4119?
Check Price and Availability of D491-4119, 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 D491-4119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4119
  • 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 D491-4119 available by request