6405-0087 Screening compound: N~1~-(3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-bromobenzamide

6405-0087 Screening compound: N~1~-(3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-bromobenzamide
6405-0087 Screening compound: N~1~-(3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-bromobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6405-0087
N~1~-(3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-bromobenzamide

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

6405-0087

Molecular Formula

C29H21BrN2O4S (C29 H21 BrN2 O4 S)

Compound Name

N~1~-(3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-bromobenzamide

IUPAC name

N-(3-benzoyl-2-benzyl-11-dioxo-2H-1lambda62-benzothiazin-4-yl)-2-bromobenzamide

SMILES

O=C(c1ccccc1)C(N(Cc1ccccc1)S(c1c2cccc1)(=O)=O)=C2NC(c(cccc1)c1Br)=O

InChI

InChI=1S/C29H21BrN2O4S/c30-24-17-9-7-15-22(24)29(34)31-26-23-16-8-10-18-25(23)37(35,36)32(19-20-11-3-1-4-12-20)27(26)28(33)21-13-5-2-6-14-21/h1-18H,19H2,(H,31,34)

InChI Key

HQDRUXYJQGYCQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09468045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.47

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

5.505

Distribution Coefficient, logD

0.276

Water Solubility, LogSw

-5.82

Polar Surface Area

68.429

Acid Dissociation Constant (pKa)

2.17

Base Dissociation Constant (pKb)

-5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.40

6405-0087 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 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

References: we are preparing a list of scientific research reports with 6405-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6405-0087?
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What is the minimum amount of 6405-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6405-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6405-0087
  • 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 6405-0087 available by request