E667-0484 Screening compound: N-(4-bromo-2-fluorophenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]propanamide

E667-0484 Screening compound: N-(4-bromo-2-fluorophenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]propanamide
E667-0484 Screening compound: N-(4-bromo-2-fluorophenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-0484
N-(4-bromo-2-fluorophenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]propanamide

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

E667-0484

Molecular Formula

C17H14BrFN2O5S (C17 H14 BrFN2 O5 S)

Compound Name

N-(4-bromo-2-fluorophenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]propanamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-3-[(3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)sulfonyl]propanamide

SMILES

O=C(CCS(c(cc1)cc(N2)c1OCC2=O)(=O)=O)Nc(ccc(Br)c1)c1F

InChI

InChI=1S/C17H14BrFN2O5S/c18-10-1-3-13(12(19)7-10)20-16(22)5-6-27(24,25)11-2-4-15-14(8-11)21-17(23)9-26-15/h1-4,7-8H,5-6,9H2,(H,20,22)(H,21,23)

InChI Key

RVCQLLGBYPPZGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14908991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.720

Distribution Coefficient, logD

1.639

Water Solubility, LogSw

-2.53

Polar Surface Area

84.725

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with E667-0484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-0484?
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What is the minimum amount of E667-0484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-0484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-0484
  • 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 E667-0484 available by request