E762-0779 Screening compound: 7-chloro-N~5~-[2-(1-cyclohexenyl)ethyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole-5-carboxamide

E762-0779 Screening compound: 7-chloro-N~5~-[2-(1-cyclohexenyl)ethyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole-5-carboxamide
E762-0779 Screening compound: 7-chloro-N~5~-[2-(1-cyclohexenyl)ethyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E762-0779
7-chloro-N~5~-[2-(1-cyclohexenyl)ethyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole-5-carboxamide

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

E762-0779

Molecular Formula

C19H21ClN2O2 (C19 H21 ClN2 O2)

Compound Name

7-chloro-N~5~-[2-(1-cyclohexenyl)ethyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole-5-carboxamide

IUPAC name

5-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-9-oxa-1-azatricyclo[6.3.1.0^{412}]dodeca-24(12)57-tetraene-2-carboxamide

SMILES

O=C(c(n1c2c(cc3)OCC1)cc2c3Cl)NCCC1=CCCCC1

InChI

InChI=1S/C19H21ClN2O2/c20-15-6-7-17-18-14(15)12-16(22(18)10-11-24-17)19(23)21-9-8-13-4-2-1-3-5-13/h4,6-7,12H,1-3,5,8-11H2,(H,21,23)

InChI Key

YDXYMEUMXNJYRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.84

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.194

Distribution Coefficient, logD

4.194

Water Solubility, LogSw

-4.52

Polar Surface Area

32.454

Acid Dissociation Constant (pKa)

13.53

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

E762-0779 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E762-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E762-0779?
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What is the minimum amount of E762-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E762-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E762-0779
  • 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 E762-0779 available by request