D374-0117 Screening compound: 2-bromo-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)benzamide

D374-0117 Screening compound: 2-bromo-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)benzamide
D374-0117 Screening compound: 2-bromo-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D374-0117
2-bromo-N-(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

D374-0117

Molecular Formula

C15H11BrN2O3 (C15 H11 BrN2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1)c1Br)Nc(cc1)cc(N2)c1OCC2=O

InChI

InChI=1S/C15H11BrN2O3/c16-11-4-2-1-3-10(11)15(20)17-9-5-6-13-12(7-9)18-14(19)8-21-13/h1-7H,8H2,(H,17,20)(H,18,19)

InChI Key

HAAGQGZOBPFWGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10063037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.17

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

2.201

Distribution Coefficient, logD

2.190

Water Solubility, LogSw

-3.11

Polar Surface Area

56.600

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D374-0117 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D374-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D374-0117?
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What is the minimum amount of D374-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D374-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D374-0117
  • 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 D374-0117 available by request