D144-0036 Screening compound: 11-chloro-3-(4-methylbenzyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one

D144-0036 Screening compound: 11-chloro-3-(4-methylbenzyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
D144-0036 Screening compound: 11-chloro-3-(4-methylbenzyl)-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 D144-0036
11-chloro-3-(4-methylbenzyl)-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

D144-0036

Molecular Formula

C22H20ClNO3 (C22 H20 ClNO3)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CN(Cc2c(c(C3=C4CCC3)c3)OC4=O)COc2c3Cl)cc1

InChI

InChI=1S/C22H20ClNO3/c1-13-5-7-14(8-6-13)10-24-11-18-20-17(9-19(23)21(18)26-12-24)15-3-2-4-16(15)22(25)27-20/h5-9H,2-4,10-12H2,1H3

InChI Key

ABSBPZQMJCCKIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04173670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.139

Distribution Coefficient, logD

4.902

Water Solubility, LogSw

-5.49

Polar Surface Area

33.400

Acid Dissociation Constant (pKa)

23.91

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D144-0036 in Drug Discovery

Included in Screening Libraries

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D144-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D144-0036?
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What is the minimum amount of D144-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D144-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D144-0036
  • 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 D144-0036 available by request