C066-5570 Screening compound: N-(4-{[2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-1-yl]sulfonyl}phenyl)propanamide

C066-5570 Screening compound: N-(4-{[2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-1-yl]sulfonyl}phenyl)propanamide
C066-5570 Screening compound: N-(4-{[2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-1-yl]sulfonyl}phenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5570
N-(4-{[2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-1-yl]sulfonyl}phenyl)propanamide

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

C066-5570

Molecular Formula

C13H17N3O3S2 (C13 H17 N3 O3 S2)

Compound Name

N-(4-{[2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-1-yl]sulfonyl}phenyl)propanamide

IUPAC name

N-(4-{[2-(methylsulfanyl)-45-dihydro-1H-imidazol-1-yl]sulfonyl}phenyl)propanamide

SMILES

CCC(Nc(cc1)ccc1S(N1C(SC)=NCC1)(=O)=O)=O

InChI

InChI=1S/C13H17N3O3S2/c1-3-12(17)15-10-4-6-11(7-5-10)21(18,19)16-9-8-14-13(16)20-2/h4-7H,3,8-9H2,1-2H3,(H,15,17)

InChI Key

CRIYMDITKFGRAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.624

Distribution Coefficient, logD

1.624

Water Solubility, LogSw

-2.62

Polar Surface Area

66.103

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C066-5570 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C066-5570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5570?
Check Price and Availability of C066-5570, 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 C066-5570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5570
  • 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 C066-5570 available by request