8009-2476 Screening compound: 3-(2,2-dichloro-1-methylcyclopropyl)prop-2-ynoic acid

8009-2476 Screening compound: 3-(2,2-dichloro-1-methylcyclopropyl)prop-2-ynoic acid
8009-2476 Screening compound: 3-(2,2-dichloro-1-methylcyclopropyl)prop-2-ynoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2476
3-(2,2-dichloro-1-methylcyclopropyl)prop-2-ynoic acid

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

8009-2476

Molecular Formula

C7H6Cl2O2 (C7 H6 Cl2 O2)

Compound Name

3-(2,2-dichloro-1-methylcyclopropyl)prop-2-ynoic acid

IUPAC name

3-(22-dichloro-1-methylcyclopropyl)prop-2-ynoic acid

SMILES

CC(C1)(C1(Cl)Cl)C#CC(O)=O

InChI

InChI=1S/C7H6Cl2O2/c1-6(3-2-5(10)11)4-7(6,8)9/h4H2,1H3,(H,10,11)/t6-/m0/s1

InChI Key

UTBZSIVDVZZJAF-LURJTMIESA-N

MDL Number (MFCD)

MFCD01572594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

193.03

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.158

Distribution Coefficient, logD

-3.122

Water Solubility, LogSw

-2.01

Polar Surface Area

29.145

Acid Dissociation Constant (pKa)

2.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

8009-2476 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8009-2476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2476?
Check Price and Availability of 8009-2476, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8009-2476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2476
  • 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 8009-2476 available by request