G534-2563 Screening compound: N-(4-methoxyphenyl)-2-{[1-({[(3-methoxyphenyl)methyl]carbamoyl}methyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetamide

G534-2563 Screening compound: N-(4-methoxyphenyl)-2-{[1-({[(3-methoxyphenyl)methyl]carbamoyl}methyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetamide
G534-2563 Screening compound: N-(4-methoxyphenyl)-2-{[1-({[(3-methoxyphenyl)methyl]carbamoyl}methyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G534-2563
N-(4-methoxyphenyl)-2-{[1-({[(3-methoxyphenyl)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

G534-2563

Molecular Formula

C26H26N4O4S (C26 H26 N4 O4 S)

Compound Name

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

IUPAC name

N-(4-methoxyphenyl)-2-{[1-({[(3-methoxyphenyl)methyl]carbamoyl}methyl)-1H-13-benzodiazol-2-yl]sulfanyl}acetamide

SMILES

COc(cc1)ccc1NC(CSc1nc(cccc2)c2n1CC(NCc1cc(OC)ccc1)=O)=O

InChI

InChI=1S/C26H26N4O4S/c1-33-20-12-10-19(11-13-20)28-25(32)17-35-26-29-22-8-3-4-9-23(22)30(26)16-24(31)27-15-18-6-5-7-21(14-18)34-2/h3-14H,15-17H2,1-2H3,(H,27,31)(H,28,32)

InChI Key

ZYFWVRKWNKDRHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.440

Distribution Coefficient, logD

4.440

Water Solubility, LogSw

-4.45

Polar Surface Area

73.186

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

G534-2563 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G534-2563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G534-2563?
Check Price and Availability of G534-2563, 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 G534-2563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G534-2563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G534-2563
  • 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 G534-2563 available by request