E912-0612 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide

E912-0612 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
E912-0612 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E912-0612
N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide

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

E912-0612

Molecular Formula

C22H26N2O6S2 (C22 H26 N2 O6 S2)

Compound Name

N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]propanamide

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-2-methyl-3-[(2-methyl-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)sulfonyl]propanamide

SMILES

CC(CS(c(cc1)cc(N2)c1SC(C)C2=O)(=O)=O)C(NCc(cc(cc1)OC)c1OC)=O

InChI

InChI=1S/C22H26N2O6S2/c1-13(21(25)23-11-15-9-16(29-3)5-7-19(15)30-4)12-32(27,28)17-6-8-20-18(10-17)24-22(26)14(2)31-20/h5-10,13-14H,11-12H2,1-4H3,(H,23,25)(H,24,26)

InChI Key

XZVHEOQAIWKUCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.252

Distribution Coefficient, logD

2.252

Water Solubility, LogSw

-2.98

Polar Surface Area

93.740

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with E912-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0612?
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What is the minimum amount of E912-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0612
  • 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 E912-0612 available by request