E762-2296 Screening compound: 7-chloro-2-ethyl-N~5~-(tetrahydro-2-furanylmethyl)-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole-5-carboxamide

E762-2296 Screening compound: 7-chloro-2-ethyl-N~5~-(tetrahydro-2-furanylmethyl)-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole-5-carboxamide
E762-2296 Screening compound: 7-chloro-2-ethyl-N~5~-(tetrahydro-2-furanylmethyl)-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E762-2296
7-chloro-2-ethyl-N~5~-(tetrahydro-2-furanylmethyl)-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

E762-2296

Molecular Formula

C18H21ClN2O3 (C18 H21 ClN2 O3)

Compound Name

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

IUPAC name

5-chloro-10-ethyl-N-[(oxolan-2-yl)methyl]-9-oxa-1-azatricyclo[6.3.1.0^{412}]dodeca-24(12)57-tetraene-2-carboxamide

SMILES

CCC(C1)Oc(cc2)c3n1c(C(NCC1OCCC1)=O)cc3c2Cl

InChI

InChI=1S/C18H21ClN2O3/c1-2-11-10-21-15(18(22)20-9-12-4-3-7-23-12)8-13-14(19)5-6-16(24-11)17(13)21/h5-6,8,11-12H,2-4,7,9-10H2,1H3,(H,20,22)

InChI Key

JJAMWKSDLMQSSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.104

Distribution Coefficient, logD

3.104

Water Solubility, LogSw

-3.55

Polar Surface Area

40.366

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

E762-2296 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E762-2296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E762-2296?
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What is the minimum amount of E762-2296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E762-2296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E762-2296
  • 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 E762-2296 available by request