G534-0981 Screening compound: 2-[(1-{[cyclohexyl(methyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide

G534-0981 Screening compound: 2-[(1-{[cyclohexyl(methyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide
G534-0981 Screening compound: 2-[(1-{[cyclohexyl(methyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G534-0981
2-[(1-{[cyclohexyl(methyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide

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

G534-0981

Molecular Formula

C26H32N4O2S (C26 H32 N4 O2 S)

Compound Name

2-[(1-{[cyclohexyl(methyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide

IUPAC name

2-[(1-{[cyclohexyl(methyl)carbamoyl]methyl}-1H-13-benzodiazol-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide

SMILES

CCN(C(CSc1nc(cccc2)c2n1CC(N(C)C1CCCCC1)=O)=O)c1ccccc1

InChI

InChI=1S/C26H32N4O2S/c1-3-29(21-14-8-5-9-15-21)25(32)19-33-26-27-22-16-10-11-17-23(22)30(26)18-24(31)28(2)20-12-6-4-7-13-20/h5,8-11,14-17,20H,3-4,6-7,12-13,18-19H2,1-2H3

InChI Key

DNYFSCOVLFLBEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.869

Distribution Coefficient, logD

4.862

Water Solubility, LogSw

-4.46

Polar Surface Area

40.515

Acid Dissociation Constant (pKa)

18.80

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

G534-0981 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G534-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G534-0981?
Check Price and Availability of G534-0981, 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 G534-0981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G534-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G534-0981
  • 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 G534-0981 available by request