8006-5737 Screening compound: [(E)-{[3-(chloromethyl)-2,4,6-trimethylphenyl]methylidene}amino]urea

8006-5737 Screening compound: [(E)-{[3-(chloromethyl)-2,4,6-trimethylphenyl]methylidene}amino]urea
8006-5737 Screening compound: [(E)-{[3-(chloromethyl)-2,4,6-trimethylphenyl]methylidene}amino]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5737
[(E)-{[3-(chloromethyl)-2,4,6-trimethylphenyl]methylidene}amino]urea

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

8006-5737

Molecular Formula

C12H16ClN3O (C12 H16 ClN3 O)

Compound Name

[(E)-{[3-(chloromethyl)-2,4,6-trimethylphenyl]methylidene}amino]urea

IUPAC name

[(E)-{[3-(chloromethyl)-246-trimethylphenyl]methylidene}amino]urea

SMILES

Cc1cc(C)c(/C=N/NC(N)=O)c(C)c1CCl

InChI

InChI=1S/C12H16ClN3O/c1-7-4-8(2)11(6-15-16-12(14)17)9(3)10(7)5-13/h4,6H,5H2,1-3H3,(H3,14,16,17)

InChI Key

FUDKNKVNRSTOKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00445701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.73

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.531

Distribution Coefficient, logD

3.530

Water Solubility, LogSw

-3.60

Polar Surface Area

56.524

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8006-5737 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8006-5737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5737?
Check Price and Availability of 8006-5737, 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 8006-5737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5737
  • 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 8006-5737 available by request