D239-0134 Screening compound: methyl 2-[3-benzoyl-1,1-dioxo-4-[(2-phenylacetyl)oxy]-1lambda~6~,2-benzothiazin-2(1H)-yl]acetate

D239-0134 Screening compound: methyl 2-[3-benzoyl-1,1-dioxo-4-[(2-phenylacetyl)oxy]-1lambda~6~,2-benzothiazin-2(1H)-yl]acetate
D239-0134 Screening compound: methyl 2-[3-benzoyl-1,1-dioxo-4-[(2-phenylacetyl)oxy]-1lambda~6~,2-benzothiazin-2(1H)-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D239-0134
methyl 2-[3-benzoyl-1,1-dioxo-4-[(2-phenylacetyl)oxy]-1lambda~6~,2-benzothiazin-2(1H)-yl]acetate

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

D239-0134

Molecular Formula

C26H21NO7S (C26 H21 NO7 S)

Compound Name

methyl 2-[3-benzoyl-1,1-dioxo-4-[(2-phenylacetyl)oxy]-1lambda~6~,2-benzothiazin-2(1H)-yl]acetate

IUPAC name

methyl 2-{3-benzoyl-11-dioxo-4-[(2-phenylacetyl)oxy]-2H-1lambda62-benzothiazin-2-yl}acetate

SMILES

COC(CN(C(C(c1ccccc1)=O)=C(c1c2cccc1)OC(Cc1ccccc1)=O)S2(=O)=O)=O

InChI

InChI=1S/C26H21NO7S/c1-33-23(29)17-27-24(25(30)19-12-6-3-7-13-19)26(20-14-8-9-15-21(20)35(27,31)32)34-22(28)16-18-10-4-2-5-11-18/h2-15H,16-17H2,1H3

InChI Key

RCVQLFSEZKRLHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.732

Distribution Coefficient, logD

3.732

Water Solubility, LogSw

-4.19

Polar Surface Area

86.090

Acid Dissociation Constant (pKa)

16.56

Base Dissociation Constant (pKb)

-11.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

D239-0134 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 D239-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D239-0134?
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What is the minimum amount of D239-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D239-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D239-0134
  • 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 D239-0134 available by request