3992-3272 Screening compound: methyl 3-[6-oxo-6,7,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-3(4H)-yl]benzoate

3992-3272 Screening compound: methyl 3-[6-oxo-6,7,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-3(4H)-yl]benzoate
3992-3272 Screening compound: methyl 3-[6-oxo-6,7,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-3(4H)-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3992-3272
methyl 3-[6-oxo-6,7,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-3(4H)-yl]benzoate

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

3992-3272

Molecular Formula

C22H19NO5 (C22 H19 NO5)

Compound Name

methyl 3-[6-oxo-6,7,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-3(4H)-yl]benzoate

IUPAC name

methyl 3-{16-oxo-617-dioxa-4-azatetracyclo[8.7.0.0^{27}.0^{1115}]heptadeca-1(10)2(7)811(15)-tetraen-4-yl}benzoate

SMILES

COC(c1cccc(N(C2)COc(cc3)c2c(O2)c3C(CCC3)=C3C2=O)c1)=O

InChI

InChI=1S/C22H19NO5/c1-26-21(24)13-4-2-5-14(10-13)23-11-18-19(27-12-23)9-8-16-15-6-3-7-17(15)22(25)28-20(16)18/h2,4-5,8-10H,3,6-7,11-12H2,1H3

InChI Key

UFBWTGVHQZHBKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02359569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.061

Distribution Coefficient, logD

4.061

Water Solubility, LogSw

-4.32

Polar Surface Area

54.609

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

3992-3272 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3992-3272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3992-3272?
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What is the minimum amount of 3992-3272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3992-3272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3992-3272
  • 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 3992-3272 available by request