4872-0166 Screening compound: dibutyl[1,1-dichloro-3-(imidazolidin-2-ylidene)-3-nitroprop-1-en-2-yl]amine

4872-0166 Screening compound: dibutyl[1,1-dichloro-3-(imidazolidin-2-ylidene)-3-nitroprop-1-en-2-yl]amine
4872-0166 Screening compound: dibutyl[1,1-dichloro-3-(imidazolidin-2-ylidene)-3-nitroprop-1-en-2-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4872-0166
dibutyl[1,1-dichloro-3-(imidazolidin-2-ylidene)-3-nitroprop-1-en-2-yl]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

4872-0166

Molecular Formula

C14H24Cl2N4O2 (C14 H24 Cl2 N4 O2)

Compound Name

dibutyl[1,1-dichloro-3-(imidazolidin-2-ylidene)-3-nitroprop-1-en-2-yl]amine

IUPAC name

dibutyl[11-dichloro-3-(imidazolidin-2-ylidene)-3-nitroprop-1-en-2-yl]amine

SMILES

CCCCN(CCCC)C(C([N+]([O-])=O)=C1NCCN1)=C(Cl)Cl

InChI

InChI=1S/C14H24Cl2N4O2/c1-3-5-9-19(10-6-4-2)11(13(15)16)12(20(21)22)14-17-7-8-18-14/h17-18H,3-10H2,1-2H3

InChI Key

YRBDEEXZZGZQOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.989

Distribution Coefficient, logD

3.986

Water Solubility, LogSw

-4.20

Polar Surface Area

58.055

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

References: we are preparing a list of scientific research reports with 4872-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4872-0166?
Check Price and Availability of 4872-0166, 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 4872-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4872-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4872-0166
  • 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 4872-0166 available by request