D491-4219 Screening compound: 7-bromo-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-oxo-4H-chromene-2-carboxamide

D491-4219 Screening compound: 7-bromo-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-oxo-4H-chromene-2-carboxamide
D491-4219 Screening compound: 7-bromo-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4219
7-bromo-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-oxo-4H-chromene-2-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

D491-4219

Molecular Formula

C19H13BrN2O5 (C19 H13 BrN2 O5)

Compound Name

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

IUPAC name

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

SMILES

CC1Oc(ccc(NC(C(Oc2c3ccc(Br)c2)=CC3=O)=O)c2)c2NC1=O

InChI

InChI=1S/C19H13BrN2O5/c1-9-18(24)22-13-7-11(3-5-15(13)26-9)21-19(25)17-8-14(23)12-4-2-10(20)6-16(12)27-17/h2-9H,1H3,(H,21,25)(H,22,24)/t9-/m1/s1

InChI Key

XWPIKQLRZWCJLU-SECBINFHSA-N

MDL Number (MFCD)

MFCD18077497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.468

Distribution Coefficient, logD

3.465

Water Solubility, LogSw

-3.83

Polar Surface Area

77.757

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

D491-4219 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D491-4219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4219?
Check Price and Availability of D491-4219, 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 D491-4219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4219
  • 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 D491-4219 available by request