E762-2416 Screening compound: 7-chloro-N~5~-[4-(dimethylamino)benzyl]-2-ethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole-5-carboxamide

E762-2416 Screening compound: 7-chloro-N~5~-[4-(dimethylamino)benzyl]-2-ethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole-5-carboxamide
E762-2416 Screening compound: 7-chloro-N~5~-[4-(dimethylamino)benzyl]-2-ethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E762-2416
7-chloro-N~5~-[4-(dimethylamino)benzyl]-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

E762-2416

Molecular Formula

C22H24ClN3O2 (C22 H24 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C1)Oc(cc2)c3n1c(C(NCc(cc1)ccc1N(C)C)=O)cc3c2Cl

InChI

InChI=1S/C22H24ClN3O2/c1-4-16-13-26-19(11-17-18(23)9-10-20(28-16)21(17)26)22(27)24-12-14-5-7-15(8-6-14)25(2)3/h5-11,16H,4,12-13H2,1-3H3,(H,24,27)/t16-/m1/s1

InChI Key

MKOTXVFPISWSBY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27601424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.643

Distribution Coefficient, logD

4.628

Water Solubility, LogSw

-4.85

Polar Surface Area

34.516

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

E762-2416 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 E762-2416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E762-2416?
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What is the minimum amount of E762-2416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E762-2416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E762-2416
  • 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 E762-2416 available by request