8016-4629 Screening compound: methyl 2-bromo-5-oxo-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxylate

8016-4629 Screening compound: methyl 2-bromo-5-oxo-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxylate
8016-4629 Screening compound: methyl 2-bromo-5-oxo-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4629
methyl 2-bromo-5-oxo-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxylate

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

8016-4629

Molecular Formula

C10H11BrO4 (C10 H11 BrO4)

Compound Name

methyl 2-bromo-5-oxo-4-oxatricyclo[4.2.1.0~3,7~]nonane-9-carboxylate

IUPAC name

methyl 2-bromo-5-oxo-4-oxatricyclo[4.2.1.0^{37}]nonane-9-carboxylate

SMILES

COC(C(C(CC1C2O3)C2Br)C1C3=O)=O

InChI

InChI=1S/C10H11BrO4/c1-14-9(12)5-3-2-4-6(5)10(13)15-8(4)7(3)11/h3-8H,2H2,1H3

InChI Key

BXVYBBSXCGDGSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.1

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.244

Distribution Coefficient, logD

1.244

Water Solubility, LogSw

-1.23

Polar Surface Area

44.468

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

80.00

References: we are preparing a list of scientific research reports with 8016-4629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4629?
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What is the minimum amount of 8016-4629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4629
  • 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 8016-4629 available by request