E667-1180 Screening compound: 6-[4-(2-METHYL-2,3-DIHYDRO-1H-INDOL-1-YL)-4-OXOBUTANE-2-SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE

E667-1180 Screening compound: 6-[4-(2-METHYL-2,3-DIHYDRO-1H-INDOL-1-YL)-4-OXOBUTANE-2-SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE
E667-1180 Screening compound: 6-[4-(2-METHYL-2,3-DIHYDRO-1H-INDOL-1-YL)-4-OXOBUTANE-2-SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-1180
6-[4-(2-METHYL-2,3-DIHYDRO-1H-INDOL-1-YL)-4-OXOBUTANE-2-SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE

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

E667-1180

Molecular Formula

C21H22N2O5S (C21 H22 N2 O5 S)

Compound Name

6-[4-(2-METHYL-2,3-DIHYDRO-1H-INDOL-1-YL)-4-OXOBUTANE-2-SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE

IUPAC name

n/a

SMILES

CC(CC(N(C(C)C1)c2c1cccc2)=O)S(c(cc1)cc(N2)c1OCC2=O)(=O)=O

InChI

InChI=1S/C21H22N2O5S/c1-13-9-15-5-3-4-6-18(15)23(13)21(25)10-14(2)29(26,27)16-7-8-19-17(11-16)22-20(24)12-28-19/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,22,24)

InChI Key

GDWXZMXKRXKQHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.919

Distribution Coefficient, logD

1.919

Water Solubility, LogSw

-2.90

Polar Surface Area

77.371

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

E667-1180 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 E667-1180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-1180?
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What is the minimum amount of E667-1180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-1180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-1180
  • 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 E667-1180 available by request