E667-1353 Screening compound: N-[(4-fluorophenyl)methyl]-3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanamide

E667-1353 Screening compound: N-[(4-fluorophenyl)methyl]-3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanamide
E667-1353 Screening compound: N-[(4-fluorophenyl)methyl]-3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-1353
N-[(4-fluorophenyl)methyl]-3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-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

E667-1353

Molecular Formula

C20H21FN2O5S (C20 H21 FN2 O5 S)

Compound Name

N-[(4-fluorophenyl)methyl]-3-[(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanamide

IUPAC name

N-[(4-fluorophenyl)methyl]-3-[(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)sulfonyl]butanamide

SMILES

CC(CC(NCc(cc1)ccc1F)=O)S(c(cc1OC2)c(C)cc1NC2=O)(=O)=O

InChI

InChI=1S/C20H21FN2O5S/c1-12-7-16-17(28-11-20(25)23-16)9-18(12)29(26,27)13(2)8-19(24)22-10-14-3-5-15(21)6-4-14/h3-7,9,13H,8,10-11H2,1-2H3,(H,22,24)(H,23,25)/t13-/m0/s1

InChI Key

MLPXOTQPDDGPSP-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14909162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.548

Distribution Coefficient, logD

1.548

Water Solubility, LogSw

-2.50

Polar Surface Area

87.481

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with E667-1353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-1353?
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What is the minimum amount of E667-1353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-1353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-1353
  • 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 E667-1353 available by request