E667-0558 Screening compound: 3-[(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)SULFONYL]-N-(4-PHENYLBUTAN-2-YL)PROPANAMIDE

E667-0558 Screening compound: 3-[(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)SULFONYL]-N-(4-PHENYLBUTAN-2-YL)PROPANAMIDE
E667-0558 Screening compound: 3-[(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)SULFONYL]-N-(4-PHENYLBUTAN-2-YL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-0558
3-[(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)SULFONYL]-N-(4-PHENYLBUTAN-2-YL)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

E667-0558

Molecular Formula

C21H24N2O5S (C21 H24 N2 O5 S)

Compound Name

3-[(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)SULFONYL]-N-(4-PHENYLBUTAN-2-YL)PROPANAMIDE

IUPAC name

n/a

SMILES

CC(CCc1ccccc1)NC(CCS(c(cc1)cc(N2)c1OCC2=O)(=O)=O)=O

InChI

InChI=1S/C21H24N2O5S/c1-15(7-8-16-5-3-2-4-6-16)22-20(24)11-12-29(26,27)17-9-10-19-18(13-17)23-21(25)14-28-19/h2-6,9-10,13,15H,7-8,11-12,14H2,1H3,(H,22,24)(H,23,25)/t15-/m0/s1

InChI Key

YVMUXHNIGXZWOM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14908994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.814

Distribution Coefficient, logD

1.814

Water Solubility, LogSw

-2.53

Polar Surface Area

86.186

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E667-0558 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E667-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-0558?
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What is the minimum amount of E667-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-0558
  • 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 E667-0558 available by request