4075-3377 Screening compound: [(E)-[4-(5-methyl-2-oxooxolan-3-yl)butan-2-ylidene]amino]thiourea

4075-3377 Screening compound: [(E)-[4-(5-methyl-2-oxooxolan-3-yl)butan-2-ylidene]amino]thiourea
4075-3377 Screening compound: [(E)-[4-(5-methyl-2-oxooxolan-3-yl)butan-2-ylidene]amino]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4075-3377
[(E)-[4-(5-methyl-2-oxooxolan-3-yl)butan-2-ylidene]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

4075-3377

Molecular Formula

C10H17N3O2S (C10 H17 N3 O2 S)

Compound Name

[(E)-[4-(5-methyl-2-oxooxolan-3-yl)butan-2-ylidene]amino]thiourea

IUPAC name

[(E)-[4-(5-methyl-2-oxooxolan-3-yl)butan-2-ylidene]amino]thiourea

SMILES

CC(CC1CC/C(/C)=N/NC(N)=S)OC1=O

InChI

InChI=1S/C10H17N3O2S/c1-6(12-13-10(11)16)3-4-8-5-7(2)15-9(8)14/h7-8H,3-5H2,1-2H3,(H3,11,13,16)

InChI Key

AGDSNSGMKSAUDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01084583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

243.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.262

Distribution Coefficient, logD

1.262

Water Solubility, LogSw

-1.92

Polar Surface Area

62.925

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

70.00

4075-3377 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4075-3377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4075-3377?
Check Price and Availability of 4075-3377, 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 4075-3377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4075-3377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4075-3377
  • 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 4075-3377 available by request