G534-0804 Screening compound: 2-[(1-{[(2-ethyl-6-methylphenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide

G534-0804 Screening compound: 2-[(1-{[(2-ethyl-6-methylphenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
G534-0804 Screening compound: 2-[(1-{[(2-ethyl-6-methylphenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G534-0804
2-[(1-{[(2-ethyl-6-methylphenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-methyl-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

G534-0804

Molecular Formula

C27H28N4O2S (C27 H28 N4 O2 S)

Compound Name

2-[(1-{[(2-ethyl-6-methylphenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide

IUPAC name

2-[(1-{[(2-ethyl-6-methylphenyl)carbamoyl]methyl}-1H-13-benzodiazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide

SMILES

CCc(cccc1C)c1NC(Cn1c(SCC(N(C)c2ccccc2)=O)nc2c1cccc2)=O

InChI

InChI=1S/C27H28N4O2S/c1-4-20-12-10-11-19(2)26(20)29-24(32)17-31-23-16-9-8-15-22(23)28-27(31)34-18-25(33)30(3)21-13-6-5-7-14-21/h5-16H,4,17-18H2,1-3H3,(H,29,32)

InChI Key

GIMUIMWRUJPRAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.893

Distribution Coefficient, logD

4.893

Water Solubility, LogSw

-4.53

Polar Surface Area

47.344

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G534-0804 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G534-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G534-0804?
Check Price and Availability of G534-0804, 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 G534-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G534-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G534-0804
  • 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 G534-0804 available by request