5556-0084 Screening compound: 2,2-dichloro-N-[3-(1H-imidazol-1-yl)propyl]acetamide

5556-0084 Screening compound: 2,2-dichloro-N-[3-(1H-imidazol-1-yl)propyl]acetamide
5556-0084 Screening compound: 2,2-dichloro-N-[3-(1H-imidazol-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5556-0084
2,2-dichloro-N-[3-(1H-imidazol-1-yl)propyl]acetamide

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

5556-0084

Molecular Formula

C8H11Cl2N3O (C8 H11 Cl2 N3 O)

Compound Name

2,2-dichloro-N-[3-(1H-imidazol-1-yl)propyl]acetamide

IUPAC name

22-dichloro-N-[3-(1H-imidazol-1-yl)propyl]acetamide

SMILES

O=C(C(Cl)Cl)NCCCn1cncc1

InChI

InChI=1S/C8H11Cl2N3O/c9-7(10)8(14)12-2-1-4-13-5-3-11-6-13/h3,5-7H,1-2,4H2,(H,12,14)

InChI Key

QCXFMQGOKGZSDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01354953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.1

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.385

Distribution Coefficient, logD

0.143

Water Solubility, LogSw

-1.15

Polar Surface Area

37.565

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

5556-0084 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5556-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5556-0084?
Check Price and Availability of 5556-0084, 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 5556-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5556-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5556-0084
  • 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 5556-0084 available by request