E226-1478 Screening compound: 1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazole-6-carboxamide

E226-1478 Screening compound: 1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazole-6-carboxamide
E226-1478 Screening compound: 1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E226-1478
1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazole-6-carboxamide

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

E226-1478

Molecular Formula

C22H21N3OS2 (C22 H21 N3 OS2)

Compound Name

1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazole-6-carboxamide

IUPAC name

1-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-N-[(thiophen-2-yl)methyl]-1H-13-benzodiazole-6-carboxamide

SMILES

Cc1cccc(CSc2nc(ccc(C(NCc3cccs3)=O)c3)c3n2C)c1

InChI

InChI=1S/C22H21N3OS2/c1-15-5-3-6-16(11-15)14-28-22-24-19-9-8-17(12-20(19)25(22)2)21(26)23-13-18-7-4-10-27-18/h3-12H,13-14H2,1-2H3,(H,23,26)

InChI Key

LSPUIDDSLONWKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14849697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.358

Distribution Coefficient, logD

5.358

Water Solubility, LogSw

-5.27

Polar Surface Area

36.991

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E226-1478 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E226-1478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E226-1478?
Check Price and Availability of E226-1478, 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 E226-1478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E226-1478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E226-1478
  • 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 E226-1478 available by request