8011-1468 Screening compound: 4-{4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]phenyl}-2-methylbut-3-yn-2-ol

8011-1468 Screening compound: 4-{4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]phenyl}-2-methylbut-3-yn-2-ol
8011-1468 Screening compound: 4-{4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]phenyl}-2-methylbut-3-yn-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1468
4-{4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]phenyl}-2-methylbut-3-yn-2-ol

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

8011-1468

Molecular Formula

C22H22Cl2N2O2 (C22 H22 Cl2 N2 O2)

Compound Name

4-{4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]phenyl}-2-methylbut-3-yn-2-ol

IUPAC name

4-{4-[4-(34-dichlorophenyl)piperazine-1-carbonyl]phenyl}-2-methylbut-3-yn-2-ol

SMILES

CC(C)(C#Cc(cc1)ccc1C(N(CC1)CCN1c(cc1)cc(Cl)c1Cl)=O)O

InChI

InChI=1S/C22H22Cl2N2O2/c1-22(2,28)10-9-16-3-5-17(6-4-16)21(27)26-13-11-25(12-14-26)18-7-8-19(23)20(24)15-18/h3-8,15,28H,11-14H2,1-2H3

InChI Key

JADKDTLNJJVOSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.918

Distribution Coefficient, logD

4.918

Water Solubility, LogSw

-4.62

Polar Surface Area

36.334

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

8011-1468 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8011-1468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1468?
Check Price and Availability of 8011-1468, 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 8011-1468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1468
  • 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 8011-1468 available by request