1636-0123 Screening compound: [(E)-{[4-(dimethylamino)-3-nitrophenyl]methylidene}amino]thiourea

1636-0123 Screening compound: [(E)-{[4-(dimethylamino)-3-nitrophenyl]methylidene}amino]thiourea
1636-0123 Screening compound: [(E)-{[4-(dimethylamino)-3-nitrophenyl]methylidene}amino]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1636-0123
[(E)-{[4-(dimethylamino)-3-nitrophenyl]methylidene}amino]thiourea

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

1636-0123

Molecular Formula

C10H13N5O2S (C10 H13 N5 O2 S)

Compound Name

[(E)-{[4-(dimethylamino)-3-nitrophenyl]methylidene}amino]thiourea

IUPAC name

[(E)-{[4-(dimethylamino)-3-nitrophenyl]methylidene}amino]thiourea

SMILES

CN(C)c(ccc(/C=N/NC(N)=S)c1)c1[N+]([O-])=O

InChI

InChI=1S/C10H13N5O2S/c1-14(2)8-4-3-7(5-9(8)15(16)17)6-12-13-10(11)18/h3-6H,1-2H3,(H3,11,13,18)

InChI Key

CDTMSGWWJJZFEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01360516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.981

Distribution Coefficient, logD

1.981

Water Solubility, LogSw

-2.74

Polar Surface Area

77.631

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

1636-0123 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 1636-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1636-0123?
Check Price and Availability of 1636-0123, 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 1636-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1636-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1636-0123
  • 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 1636-0123 available by request