E762-1842 Screening compound: N~5~-cyclopropyl-2-ethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole-5-carboxamide

E762-1842 Screening compound: N~5~-cyclopropyl-2-ethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole-5-carboxamide
E762-1842 Screening compound: N~5~-cyclopropyl-2-ethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E762-1842
N~5~-cyclopropyl-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

E762-1842

Molecular Formula

C16H18N2O2 (C16 H18 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C1)Oc2cccc3c2n1c(C(NC1CC1)=O)c3

InChI

InChI=1S/C16H18N2O2/c1-2-12-9-18-13(16(19)17-11-6-7-11)8-10-4-3-5-14(20-12)15(10)18/h3-5,8,11-12H,2,6-7,9H2,1H3,(H,17,19)/t12-/m1/s1

InChI Key

PUKSTENBHNWXKA-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD27601316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.833

Distribution Coefficient, logD

2.833

Water Solubility, LogSw

-3.44

Polar Surface Area

31.768

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

E762-1842 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E762-1842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E762-1842?
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What is the minimum amount of E762-1842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E762-1842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E762-1842
  • 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 E762-1842 available by request