E762-1978 Screening compound: N~5~-(4-ethoxyphenethyl)-2-ethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole-5-carboxamide

E762-1978 Screening compound: N~5~-(4-ethoxyphenethyl)-2-ethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole-5-carboxamide
E762-1978 Screening compound: N~5~-(4-ethoxyphenethyl)-2-ethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E762-1978
N~5~-(4-ethoxyphenethyl)-2-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

E762-1978

Molecular Formula

C23H26N2O3 (C23 H26 N2 O3)

Compound Name

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

IUPAC name

N-[2-(4-ethoxyphenyl)ethyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.0^{412}]dodeca-24(12)57-tetraene-2-carboxamide

SMILES

CCC(C1)Oc2cccc3c2n1c(C(NCCc(cc1)ccc1OCC)=O)c3

InChI

InChI=1S/C23H26N2O3/c1-3-18-15-25-20(14-17-6-5-7-21(28-18)22(17)25)23(26)24-13-12-16-8-10-19(11-9-16)27-4-2/h5-11,14,18H,3-4,12-13,15H2,1-2H3,(H,24,26)/t18-/m1/s1

InChI Key

GDCBQNXUDZSJSJ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27601359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.234

Distribution Coefficient, logD

4.234

Water Solubility, LogSw

-4.26

Polar Surface Area

38.677

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

E762-1978 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E762-1978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E762-1978?
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What is the minimum amount of E762-1978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E762-1978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E762-1978
  • 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 E762-1978 available by request