D491-4194 Screening compound: 5-bromo-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)furan-2-carboxamide

D491-4194 Screening compound: 5-bromo-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)furan-2-carboxamide
D491-4194 Screening compound: 5-bromo-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4194
5-bromo-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)furan-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

D491-4194

Molecular Formula

C14H11BrN2O4 (C14 H11 BrN2 O4)

Compound Name

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

IUPAC name

5-bromo-N-(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)furan-2-carboxamide

SMILES

CC1Oc(ccc(NC(c(o2)ccc2Br)=O)c2)c2NC1=O

InChI

InChI=1S/C14H11BrN2O4/c1-7-13(18)17-9-6-8(2-3-10(9)20-7)16-14(19)11-4-5-12(15)21-11/h2-7H,1H3,(H,16,19)(H,17,18)/t7-/m1/s1

InChI Key

YTYYCLUINGMJRY-SSDOTTSWSA-N

MDL Number (MFCD)

MFCD10068247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.588

Distribution Coefficient, logD

2.558

Water Solubility, LogSw

-3.16

Polar Surface Area

64.864

Acid Dissociation Constant (pKa)

8.55

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

D491-4194 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D491-4194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4194?
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What is the minimum amount of D491-4194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4194
  • 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 D491-4194 available by request