6405-0082 Screening compound: N1-(3-BENZOYL-2-BENZYL-1

6405-0082 Screening compound: N1-(3-BENZOYL-2-BENZYL-1
6405-0082 Screening compound: N1-(3-BENZOYL-2-BENZYL-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound 6405-0082
N1-(3-BENZOYL-2-BENZYL-1

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

6405-0082

Molecular Formula

C27H26N2O4S (C27 H26 N2 O4 S)

Compound Name

N1-(3-BENZOYL-2-BENZYL-1

IUPAC name

n/a

SMILES

CC(C)(C)C(NC(c1c2cccc1)=C(C(c1ccccc1)=O)N(Cc1ccccc1)S2(=O)=O)=O

InChI

InChI=1S/C27H26N2O4S/c1-27(2,3)26(31)28-23-21-16-10-11-17-22(21)34(32,33)29(18-19-12-6-4-7-13-19)24(23)25(30)20-14-8-5-9-15-20/h4-17H,18H2,1-3H3,(H,28,31)

InChI Key

JBUFFUHUTDGXBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04027369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.786

Distribution Coefficient, logD

1.502

Water Solubility, LogSw

-4.63

Polar Surface Area

68.701

Acid Dissociation Constant (pKa)

4.12

Base Dissociation Constant (pKb)

-2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

6405-0082 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6405-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6405-0082?
Check Price and Availability of 6405-0082, 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 6405-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6405-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6405-0082
  • 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 6405-0082 available by request