8009-6809 Screening compound: prop-2-yn-1-yl 2-(1H-1,2,3-benzotriazole-1-carbonyl)-3,4,5,6-tetrachlorobenzoate

8009-6809 Screening compound: prop-2-yn-1-yl 2-(1H-1,2,3-benzotriazole-1-carbonyl)-3,4,5,6-tetrachlorobenzoate
8009-6809 Screening compound: prop-2-yn-1-yl 2-(1H-1,2,3-benzotriazole-1-carbonyl)-3,4,5,6-tetrachlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6809
prop-2-yn-1-yl 2-(1H-1,2,3-benzotriazole-1-carbonyl)-3,4,5,6-tetrachlorobenzoate

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

8009-6809

Molecular Formula

C17H7Cl4N3O3 (C17 H7 Cl4 N3 O3)

Compound Name

prop-2-yn-1-yl 2-(1H-1,2,3-benzotriazole-1-carbonyl)-3,4,5,6-tetrachlorobenzoate

IUPAC name

prop-2-yn-1-yl 2-(1H-123-benzotriazole-1-carbonyl)-3456-tetrachlorobenzoate

SMILES

C#CCOC(c(c(C(n1nnc2c1cccc2)=O)c(c(Cl)c1Cl)Cl)c1Cl)=O

InChI

InChI=1S/C17H7Cl4N3O3/c1-2-7-27-17(26)11-10(12(18)14(20)15(21)13(11)19)16(25)24-9-6-4-3-5-8(9)22-23-24/h1,3-6H,7H2

InChI Key

LVPJLTLNKDSCCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00553971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.07

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

4.205

Distribution Coefficient, logD

4.205

Water Solubility, LogSw

-5.59

Polar Surface Area

60.044

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8009-6809 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-6809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6809?
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What is the minimum amount of 8009-6809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6809
  • 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 8009-6809 available by request