8009-2452 Screening compound: 1-[3a,6a-dimethyl-2-oxo-3-(2-pyridylmethyl)hexahydro-2H-cyclopenta[d][1,3]oxazol-4-yl]-1-methylethyl formate

8009-2452 Screening compound: 1-[3a,6a-dimethyl-2-oxo-3-(2-pyridylmethyl)hexahydro-2H-cyclopenta[d][1,3]oxazol-4-yl]-1-methylethyl formate
8009-2452 Screening compound: 1-[3a,6a-dimethyl-2-oxo-3-(2-pyridylmethyl)hexahydro-2H-cyclopenta[d][1,3]oxazol-4-yl]-1-methylethyl formate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2452
1-[3a,6a-dimethyl-2-oxo-3-(2-pyridylmethyl)hexahydro-2H-cyclopenta[d][1,3]oxazol-4-yl]-1-methylethyl formate

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

8009-2452

Molecular Formula

C18H24N2O4 (C18 H24 N2 O4)

Compound Name

1-[3a,6a-dimethyl-2-oxo-3-(2-pyridylmethyl)hexahydro-2H-cyclopenta[d][1,3]oxazol-4-yl]-1-methylethyl formate

IUPAC name

2-{3a6a-dimethyl-2-oxo-3-[(pyridin-2-yl)methyl]-hexahydro-2H-cyclopenta[d][13]oxazol-4-yl}propan-2-yl formate

SMILES

CC(C)(C(CCC1(C)O2)C1(C)N(Cc1ncccc1)C2=O)OC=O

InChI

InChI=1S/C18H24N2O4/c1-16(2,23-12-21)14-8-9-17(3)18(14,4)20(15(22)24-17)11-13-7-5-6-10-19-13/h5-7,10,12,14H,8-9,11H2,1-4H3

InChI Key

MOPQKXFBAWRFSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.318

Distribution Coefficient, logD

2.280

Water Solubility, LogSw

-2.42

Polar Surface Area

53.376

Acid Dissociation Constant (pKa)

26.35

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

61.11

8009-2452 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 8009-2452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2452?
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What is the minimum amount of 8009-2452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2452
  • 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 8009-2452 available by request