1699-1549 Screening compound: 1-(3-methylphenyl)-3-[(E)-[(5-nitrothiophen-2-yl)methylidene]amino]thiourea

1699-1549 Screening compound: 1-(3-methylphenyl)-3-[(E)-[(5-nitrothiophen-2-yl)methylidene]amino]thiourea
1699-1549 Screening compound: 1-(3-methylphenyl)-3-[(E)-[(5-nitrothiophen-2-yl)methylidene]amino]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1699-1549
1-(3-methylphenyl)-3-[(E)-[(5-nitrothiophen-2-yl)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

1699-1549

Molecular Formula

C13H12N4O2S2 (C13 H12 N4 O2 S2)

Compound Name

1-(3-methylphenyl)-3-[(E)-[(5-nitrothiophen-2-yl)methylidene]amino]thiourea

IUPAC name

1-(3-methylphenyl)-3-[(E)-[(5-nitrothiophen-2-yl)methylidene]amino]thiourea

SMILES

Cc1cccc(NC(N/N=C/c2ccc([N+]([O-])=O)s2)=S)c1

InChI

InChI=1S/C13H12N4O2S2/c1-9-3-2-4-10(7-9)15-13(20)16-14-8-11-5-6-12(21-11)17(18)19/h2-8H,1H3,(H2,15,16,20)

InChI Key

LDIYKAIBQSIQBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00593368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

4.524

Water Solubility, LogSw

-4.38

Polar Surface Area

66.037

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

1699-1549 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1699-1549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1699-1549?
Check Price and Availability of 1699-1549, 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 1699-1549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1699-1549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1699-1549
  • 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 1699-1549 available by request