E786-1246 Screening compound: methyl 2-{6-[(6-chloro-2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate

E786-1246 Screening compound: methyl 2-{6-[(6-chloro-2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate
E786-1246 Screening compound: methyl 2-{6-[(6-chloro-2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1246
methyl 2-{6-[(6-chloro-2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-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

E786-1246

Molecular Formula

C21H21ClN2O6S2 (C21 H21 ClN2 O6 S2)

Compound Name

methyl 2-{6-[(6-chloro-2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}acetate

IUPAC name

methyl 2-{6-[(6-chloro-2-ethyl-34-dihydro-2H-14-benzoxazin-4-yl)sulfonyl]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl}acetate

SMILES

CCC(C1)Oc(ccc(Cl)c2)c2N1S(c(cc1)cc(N2CC(OC)=O)c1SCC2=O)(=O)=O

InChI

InChI=1S/C21H21ClN2O6S2/c1-3-14-10-24(16-8-13(22)4-6-18(16)30-14)32(27,28)15-5-7-19-17(9-15)23(11-21(26)29-2)20(25)12-31-19/h4-9,14H,3,10-12H2,1-2H3/t14-/m1/s1

InChI Key

HSRJBCPVZSQBRZ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14918889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.99

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.363

Distribution Coefficient, logD

3.363

Water Solubility, LogSw

-3.73

Polar Surface Area

74.865

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-7.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E786-1246 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 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 E786-1246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1246?
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What is the minimum amount of E786-1246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1246
  • 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 E786-1246 available by request