3630-0526 Screening compound: 1-{4-[5-oxo-1-(prop-2-en-1-yl)-2-sulfanylideneimidazolidin-4-yl]butyl}-3-(prop-2-en-1-yl)thiourea

3630-0526 Screening compound: 1-{4-[5-oxo-1-(prop-2-en-1-yl)-2-sulfanylideneimidazolidin-4-yl]butyl}-3-(prop-2-en-1-yl)thiourea
3630-0526 Screening compound: 1-{4-[5-oxo-1-(prop-2-en-1-yl)-2-sulfanylideneimidazolidin-4-yl]butyl}-3-(prop-2-en-1-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3630-0526
1-{4-[5-oxo-1-(prop-2-en-1-yl)-2-sulfanylideneimidazolidin-4-yl]butyl}-3-(prop-2-en-1-yl)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

3630-0526

Molecular Formula

C14H22N4OS2 (C14 H22 N4 OS2)

Compound Name

1-{4-[5-oxo-1-(prop-2-en-1-yl)-2-sulfanylideneimidazolidin-4-yl]butyl}-3-(prop-2-en-1-yl)thiourea

IUPAC name

1-{4-[5-oxo-1-(prop-2-en-1-yl)-2-sulfanylideneimidazolidin-4-yl]butyl}-3-(prop-2-en-1-yl)thiourea

SMILES

C=CCNC(NCCCCC(C(N1CC=C)=O)NC1=S)=S

InChI

InChI=1S/C14H22N4OS2/c1-3-8-15-13(20)16-9-6-5-7-11-12(19)18(10-4-2)14(21)17-11/h3-4,11H,1-2,5-10H2,(H,17,21)(H2,15,16,20)/t11-/m1/s1

InChI Key

VYTLFQKHNGWPRK-LLVKDONJSA-N

MDL Number (MFCD)

MFCD02643318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.054

Distribution Coefficient, logD

1.054

Water Solubility, LogSw

-1.73

Polar Surface Area

50.445

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

3630-0526 in Drug Discovery

Included in Screening Libraries

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 3630-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3630-0526?
Check Price and Availability of 3630-0526, 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 3630-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3630-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3630-0526
  • 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 3630-0526 available by request