C795-1498 Screening compound: (7-chloro-2-methyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-5-yl)[3,4-dihydro-2(1H)-isoquinolinyl]methanone

C795-1498 Screening compound: (7-chloro-2-methyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-5-yl)[3,4-dihydro-2(1H)-isoquinolinyl]methanone
C795-1498 Screening compound: (7-chloro-2-methyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-5-yl)[3,4-dihydro-2(1H)-isoquinolinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-1498
(7-chloro-2-methyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-5-yl)[3,4-dihydro-2(1H)-isoquinolinyl]methanone

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

C795-1498

Molecular Formula

C21H19ClN2O2 (C21 H19 ClN2 O2)

Compound Name

(7-chloro-2-methyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-5-yl)[3,4-dihydro-2(1H)-isoquinolinyl]methanone

IUPAC name

5-chloro-10-methyl-2-(1234-tetrahydroisoquinoline-2-carbonyl)-9-oxa-1-azatricyclo[6.3.1.0^{412}]dodeca-24(12)57-tetraene

SMILES

CC(C1)Oc(cc2)c3n1c(C(N(CC1)Cc4c1cccc4)=O)cc3c2Cl

InChI

InChI=1S/C21H19ClN2O2/c1-13-11-24-18(10-16-17(22)6-7-19(26-13)20(16)24)21(25)23-9-8-14-4-2-3-5-15(14)12-23/h2-7,10,13H,8-9,11-12H2,1H3/t13-/m1/s1

InChI Key

UCQXDUFXZJMYEG-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14797304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.558

Distribution Coefficient, logD

4.558

Water Solubility, LogSw

-4.63

Polar Surface Area

23.414

Acid Dissociation Constant (pKa)

25.72

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C795-1498 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C795-1498 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C795-1498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-1498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-1498
  • 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 C795-1498 available by request