E667-1171 Screening compound: N-(4-chloro-2-fluorophenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]butanamide

E667-1171 Screening compound: N-(4-chloro-2-fluorophenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]butanamide
E667-1171 Screening compound: N-(4-chloro-2-fluorophenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-1171
N-(4-chloro-2-fluorophenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]butanamide

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

E667-1171

Molecular Formula

C18H16ClFN2O5S (C18 H16 ClFN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC(Nc(ccc(Cl)c1)c1F)=O)S(c(cc1)cc(N2)c1OCC2=O)(=O)=O

InChI

InChI=1S/C18H16ClFN2O5S/c1-10(6-17(23)21-14-4-2-11(19)7-13(14)20)28(25,26)12-3-5-16-15(8-12)22-18(24)9-27-16/h2-5,7-8,10H,6,9H2,1H3,(H,21,23)(H,22,24)/t10-/m0/s1

InChI Key

DDFPOCRDYXFBHB-JTQLQIEISA-N

MDL Number (MFCD)

MFCD14909085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.85

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

2.170

Distribution Coefficient, logD

2.049

Water Solubility, LogSw

-3.14

Polar Surface Area

85.461

Acid Dissociation Constant (pKa)

7.89

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

E667-1171 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E667-1171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-1171?
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What is the minimum amount of E667-1171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-1171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-1171
  • 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 E667-1171 available by request