8010-2982 Screening compound: 2-chloroallyl 3-(1H-1,2,3-benzotriazol-1-ylcarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate

8010-2982 Screening compound: 2-chloroallyl 3-(1H-1,2,3-benzotriazol-1-ylcarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
8010-2982 Screening compound: 2-chloroallyl 3-(1H-1,2,3-benzotriazol-1-ylcarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2982
2-chloroallyl 3-(1H-1,2,3-benzotriazol-1-ylcarbonyl)bicyclo[2.2.1]hept-5-ene-2-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

8010-2982

Molecular Formula

C18H16ClN3O3 (C18 H16 ClN3 O3)

Compound Name

2-chloroallyl 3-(1H-1,2,3-benzotriazol-1-ylcarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate

IUPAC name

2-chloroprop-2-en-1-yl 3-(1H-123-benzotriazole-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate

SMILES

C=C(COC(C(C1C=CC2C1)C2C(n1nnc2c1cccc2)=O)=O)Cl

InChI

InChI=1S/C18H16ClN3O3/c1-10(19)9-25-18(24)16-12-7-6-11(8-12)15(16)17(23)22-14-5-3-2-4-13(14)20-21-22/h2-7,11-12,15-16H,1,8-9H2

InChI Key

WWKVRJPSDCXLQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.853

Distribution Coefficient, logD

2.853

Water Solubility, LogSw

-3.39

Polar Surface Area

60.970

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with 8010-2982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2982?
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What is the minimum amount of 8010-2982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2982
  • 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 8010-2982 available by request