4859-0350 Screening compound: 4-[1,1-dichloro-3-(1,3-diazinan-2-ylidene)-3-nitroprop-1-en-2-yl]morpholine

4859-0350 Screening compound: 4-[1,1-dichloro-3-(1,3-diazinan-2-ylidene)-3-nitroprop-1-en-2-yl]morpholine
4859-0350 Screening compound: 4-[1,1-dichloro-3-(1,3-diazinan-2-ylidene)-3-nitroprop-1-en-2-yl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4859-0350
4-[1,1-dichloro-3-(1,3-diazinan-2-ylidene)-3-nitroprop-1-en-2-yl]morpholine

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

4859-0350

Molecular Formula

C11H16Cl2N4O3 (C11 H16 Cl2 N4 O3)

Compound Name

4-[1,1-dichloro-3-(1,3-diazinan-2-ylidene)-3-nitroprop-1-en-2-yl]morpholine

IUPAC name

4-[11-dichloro-3-(13-diazinan-2-ylidene)-3-nitroprop-1-en-2-yl]morpholine

SMILES

[O-][N+](C(C(N1CCOCC1)=C(Cl)Cl)=C1NCCCN1)=O

InChI

InChI=1S/C11H16Cl2N4O3/c12-10(13)8(16-4-6-20-7-5-16)9(17(18)19)11-14-2-1-3-15-11/h14-15H,1-7H2

InChI Key

YGDQMCPMNAOESX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.18

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.259

Distribution Coefficient, logD

1.259

Water Solubility, LogSw

-2.04

Polar Surface Area

65.806

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

4859-0350 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4859-0350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4859-0350?
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What is the minimum amount of 4859-0350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4859-0350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4859-0350
  • 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 4859-0350 available by request