Y010-0901 Screening compound: N~1~-(3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-methoxybenzamide

Y010-0901 Screening compound: N~1~-(3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-methoxybenzamide
Y010-0901 Screening compound: N~1~-(3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0901
N~1~-(3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-methoxybenzamide

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

Y010-0901

Molecular Formula

C25H22N2O5S (C25 H22 N2 O5 S)

Compound Name

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

IUPAC name

N-(3-benzoyl-2-ethyl-11-dioxo-2H-1lambda62-benzothiazin-4-yl)-2-methoxybenzamide

SMILES

CCN(C(C(c1ccccc1)=O)=C(c1c2cccc1)NC(c(cccc1)c1OC)=O)S2(=O)=O

InChI

InChI=1S/C25H22N2O5S/c1-3-27-23(24(28)17-11-5-4-6-12-17)22(19-14-8-10-16-21(19)33(27,30)31)26-25(29)18-13-7-9-15-20(18)32-2/h4-16H,3H2,1-2H3,(H,26,29)

InChI Key

HNKWULREFGSWJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06244870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.810

Distribution Coefficient, logD

-2.147

Water Solubility, LogSw

-4.09

Polar Surface Area

76.056

Acid Dissociation Constant (pKa)

1.44

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

Y010-0901 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 Y010-0901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0901?
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What is the minimum amount of Y010-0901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0901
  • 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 Y010-0901 available by request