8415-05745 Screening compound: 2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide

8415-05745 Screening compound: 2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
8415-05745 Screening compound: 2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8415-05745
2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide

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

8415-05745

Molecular Formula

C15H19N3O4S (C15 H19 N3 O4 S)

Compound Name

2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide

IUPAC name

2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(345-trimethoxyphenyl)acetamide

SMILES

Cn1c(SCC(Nc(cc2OC)cc(OC)c2OC)=O)ncc1

InChI

InChI=1S/C15H19N3O4S/c1-18-6-5-16-15(18)23-9-13(19)17-10-7-11(20-2)14(22-4)12(8-10)21-3/h5-8H,9H2,1-4H3,(H,17,19)

InChI Key

XYZXCVCIAWSKFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08072604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.147

Distribution Coefficient, logD

1.142

Water Solubility, LogSw

-2.39

Polar Surface Area

59.013

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8415-05745 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8415-05745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8415-05745?
Check Price and Availability of 8415-05745, 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 8415-05745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8415-05745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8415-05745
  • 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 8415-05745 available by request