8010-0948 Screening compound: 2-(2-chloroprop-2-en-1-yl) 3-(2-methylbut-3-yn-2-yl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

8010-0948 Screening compound: 2-(2-chloroprop-2-en-1-yl) 3-(2-methylbut-3-yn-2-yl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
8010-0948 Screening compound: 2-(2-chloroprop-2-en-1-yl) 3-(2-methylbut-3-yn-2-yl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0948
2-(2-chloroprop-2-en-1-yl) 3-(2-methylbut-3-yn-2-yl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

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

8010-0948

Molecular Formula

C17H19ClO4 (C17 H19 ClO4)

Compound Name

2-(2-chloroprop-2-en-1-yl) 3-(2-methylbut-3-yn-2-yl) bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

IUPAC name

2-(2-chloroprop-2-en-1-yl) 3-(2-methylbut-3-yn-2-yl) bicyclo[2.2.1]hept-5-ene-23-dicarboxylate

SMILES

CC(C)(C#C)OC(C(C1C=CC2C1)C2C(OCC(Cl)=C)=O)=O

InChI

InChI=1S/C17H19ClO4/c1-5-17(3,4)22-16(20)14-12-7-6-11(8-12)13(14)15(19)21-9-10(2)18/h1,6-7,11-14H,2,8-9H2,3-4H3

InChI Key

FPSHTZYXFHJOHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01871147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.305

Distribution Coefficient, logD

3.305

Water Solubility, LogSw

-3.61

Polar Surface Area

41.959

Acid Dissociation Constant (pKa)

21.36

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

52.90

8010-0948 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8010-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0948
  • 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 8010-0948 available by request