E667-1031 Screening compound: N-(3,4-dimethoxyphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]butanamide

E667-1031 Screening compound: N-(3,4-dimethoxyphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]butanamide
E667-1031 Screening compound: N-(3,4-dimethoxyphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-1031
N-(3,4-dimethoxyphenyl)-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

E667-1031

Molecular Formula

C20H22N2O7S (C20 H22 N2 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC(Nc(cc1)cc(OC)c1OC)=O)S(c(cc1)cc(N2)c1OCC2=O)(=O)=O

InChI

InChI=1S/C20H22N2O7S/c1-12(8-19(23)21-13-4-6-17(27-2)18(9-13)28-3)30(25,26)14-5-7-16-15(10-14)22-20(24)11-29-16/h4-7,9-10,12H,8,11H2,1-3H3,(H,21,23)(H,22,24)/t12-/m0/s1

InChI Key

WTXZALLTADRAFX-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14909023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.083

Distribution Coefficient, logD

1.083

Water Solubility, LogSw

-2.39

Polar Surface Area

101.420

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with E667-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-1031?
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What is the minimum amount of E667-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-1031
  • 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 E667-1031 available by request