1204-0021 Screening compound: N-(2,5-dichlorophenyl)-N-(2-propynyl)amine

1204-0021 Screening compound: N-(2,5-dichlorophenyl)-N-(2-propynyl)amine
1204-0021 Screening compound: N-(2,5-dichlorophenyl)-N-(2-propynyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1204-0021
N-(2,5-dichlorophenyl)-N-(2-propynyl)amine

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

1204-0021

Molecular Formula

C9H7Cl2N (C9 H7 Cl2 N)

Compound Name

N-(2,5-dichlorophenyl)-N-(2-propynyl)amine

IUPAC name

25-dichloro-N-(prop-2-yn-1-yl)aniline

SMILES

C#CCNc(cc(cc1)Cl)c1Cl

InChI

InChI=1S/C9H7Cl2N/c1-2-5-12-9-6-7(10)3-4-8(9)11/h1,3-4,6,12H,5H2

InChI Key

MQNCRUFWCVKTHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01930836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

200.07

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.123

Distribution Coefficient, logD

3.123

Water Solubility, LogSw

-3.21

Polar Surface Area

9.888

Acid Dissociation Constant (pKa)

18.33

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

1204-0021 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Frequent Hitters Library (7624 compounds)

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Structure:
  • Pool
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1204-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1204-0021?
Check Price and Availability of 1204-0021, 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 1204-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1204-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1204-0021
  • 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 1204-0021 available by request