4859-0482 Screening compound: N-[(1Z)-3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]cyclopropanamine

4859-0482 Screening compound: N-[(1Z)-3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]cyclopropanamine
4859-0482 Screening compound: N-[(1Z)-3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]cyclopropanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4859-0482
N-[(1Z)-3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]cyclopropanamine

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

4859-0482

Molecular Formula

C13H11Cl3N2O2S (C13 H11 Cl3 N2 O2 S)

Compound Name

N-[(1Z)-3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]cyclopropanamine

IUPAC name

N-[(1Z)-344-trichloro-2-nitro-1-(phenylsulfanyl)buta-13-dien-1-yl]cyclopropanamine

SMILES

[O-][N+](/C(/C(Cl)=C(Cl)Cl)=C(/NC1CC1)\Sc1ccccc1)=O

InChI

InChI=1S/C13H11Cl3N2O2S/c14-10(12(15)16)11(18(19)20)13(17-8-6-7-8)21-9-4-2-1-3-5-9/h1-5,8,17H,6-7H2

InChI Key

CTAWVCMHFREYIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.231

Distribution Coefficient, logD

5.091

Water Solubility, LogSw

-5.73

Polar Surface Area

43.868

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4859-0482 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4859-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4859-0482?
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What is the minimum amount of 4859-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4859-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4859-0482
  • 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 4859-0482 available by request