D144-0189 Screening compound: 11-chloro-3-(2-methoxybenzyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one

D144-0189 Screening compound: 11-chloro-3-(2-methoxybenzyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
D144-0189 Screening compound: 11-chloro-3-(2-methoxybenzyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D144-0189
11-chloro-3-(2-methoxybenzyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one

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

D144-0189

Molecular Formula

C22H20ClNO4 (C22 H20 ClNO4)

Compound Name

11-chloro-3-(2-methoxybenzyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one

IUPAC name

8-chloro-4-[(2-methoxyphenyl)methyl]-617-dioxa-4-azatetracyclo[8.7.0.0^{27}.0^{1115}]heptadeca-17911(15)-tetraen-16-one

SMILES

COc1c(CN(Cc2c(c(C3=C4CCC3)c3)OC4=O)COc2c3Cl)cccc1

InChI

InChI=1S/C22H20ClNO4/c1-26-19-8-3-2-5-13(19)10-24-11-17-20-16(9-18(23)21(17)27-12-24)14-6-4-7-15(14)22(25)28-20/h2-3,5,8-9H,4,6-7,10-12H2,1H3

InChI Key

FEQWKECLOVITSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05702430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.821

Distribution Coefficient, logD

4.735

Water Solubility, LogSw

-4.97

Polar Surface Area

41.030

Acid Dissociation Constant (pKa)

23.91

Base Dissociation Constant (pKb)

6.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D144-0189 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cardiovascular
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D144-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D144-0189?
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What is the minimum amount of D144-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D144-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D144-0189
  • 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 D144-0189 available by request