3630-0848 Screening compound: 3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propanoic acid

3630-0848 Screening compound: 3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propanoic acid
3630-0848 Screening compound: 3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3630-0848
3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propanoic acid

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

3630-0848

Molecular Formula

C12H12N2O3S (C12 H12 N2 O3 S)

Compound Name

3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propanoic acid

IUPAC name

3-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)propanoic acid

SMILES

OC(CCC(C(N1c2ccccc2)=O)NC1=S)=O

InChI

InChI=1S/C12H12N2O3S/c15-10(16)7-6-9-11(17)14(12(18)13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,15,16)/t9-/m1/s1

InChI Key

ULKNJYDXLYMGFB-SECBINFHSA-N

MDL Number (MFCD)

MFCD00070137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.266

Distribution Coefficient, logD

-2.324

Water Solubility, LogSw

-2.00

Polar Surface Area

56.546

Acid Dissociation Constant (pKa)

4.81

Base Dissociation Constant (pKb)

-4.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3630-0848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3630-0848?
Check Price and Availability of 3630-0848, 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 3630-0848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3630-0848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3630-0848
  • 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 3630-0848 available by request