E966-1451 Screening compound: ethyl 4-[(6-chloro-2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate

E966-1451 Screening compound: ethyl 4-[(6-chloro-2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
E966-1451 Screening compound: ethyl 4-[(6-chloro-2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E966-1451
ethyl 4-[(6-chloro-2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate

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

E966-1451

Molecular Formula

C20H25ClN2O5S (C20 H25 ClN2 O5 S)

Compound Name

ethyl 4-[(6-chloro-2-ethyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 4-[(6-chloro-2-ethyl-34-dihydro-2H-14-benzoxazin-4-yl)sulfonyl]-125-trimethyl-1H-pyrrole-3-carboxylate

SMILES

CCC(C1)Oc(ccc(Cl)c2)c2N1S(c1c(C)n(C)c(C)c1C(OCC)=O)(=O)=O

InChI

InChI=1S/C20H25ClN2O5S/c1-6-15-11-23(16-10-14(21)8-9-17(16)28-15)29(25,26)19-13(4)22(5)12(3)18(19)20(24)27-7-2/h8-10,15H,6-7,11H2,1-5H3/t15-/m1/s1

InChI Key

SYJNAGQAORMTGL-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14933856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.194

Distribution Coefficient, logD

3.194

Water Solubility, LogSw

-3.86

Polar Surface Area

62.166

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

E966-1451 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E966-1451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E966-1451?
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What is the minimum amount of E966-1451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E966-1451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E966-1451
  • 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 E966-1451 available by request