G534-0552 Screening compound: N-benzyl-2-{[1-({[(4-methylphenyl)methyl]carbamoyl}methyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetamide

G534-0552 Screening compound: N-benzyl-2-{[1-({[(4-methylphenyl)methyl]carbamoyl}methyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetamide
G534-0552 Screening compound: N-benzyl-2-{[1-({[(4-methylphenyl)methyl]carbamoyl}methyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G534-0552
N-benzyl-2-{[1-({[(4-methylphenyl)methyl]carbamoyl}methyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}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

G534-0552

Molecular Formula

C26H26N4O2S (C26 H26 N4 O2 S)

Compound Name

N-benzyl-2-{[1-({[(4-methylphenyl)methyl]carbamoyl}methyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetamide

IUPAC name

N-benzyl-2-{[1-({[(4-methylphenyl)methyl]carbamoyl}methyl)-1H-13-benzodiazol-2-yl]sulfanyl}acetamide

SMILES

Cc1ccc(CNC(Cn2c(SCC(NCc3ccccc3)=O)nc3c2cccc3)=O)cc1

InChI

InChI=1S/C26H26N4O2S/c1-19-11-13-21(14-12-19)16-27-24(31)17-30-23-10-6-5-9-22(23)29-26(30)33-18-25(32)28-15-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3,(H,27,31)(H,28,32)

InChI Key

OUYLQQUEAURRIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.465

Distribution Coefficient, logD

4.460

Water Solubility, LogSw

-4.28

Polar Surface Area

59.420

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with G534-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G534-0552?
Check Price and Availability of G534-0552, 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 G534-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G534-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G534-0552
  • 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 G534-0552 available by request