E470-1120 Screening compound: 4-acetyl-N-(2,3-dimethylphenyl)-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

E470-1120 Screening compound: 4-acetyl-N-(2,3-dimethylphenyl)-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
E470-1120 Screening compound: 4-acetyl-N-(2,3-dimethylphenyl)-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E470-1120
4-acetyl-N-(2,3-dimethylphenyl)-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

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

E470-1120

Molecular Formula

C19H22N2O3S2 (C19 H22 N2 O3 S2)

Compound Name

4-acetyl-N-(2,3-dimethylphenyl)-2-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

IUPAC name

4-acetyl-N-(23-dimethylphenyl)-2-methyl-34-dihydro-2H-14-benzothiazine-6-sulfonamide

SMILES

CC(C1)Sc(ccc(S(Nc2c(C)c(C)ccc2)(=O)=O)c2)c2N1C(C)=O

InChI

InChI=1S/C19H22N2O3S2/c1-12-6-5-7-17(14(12)3)20-26(23,24)16-8-9-19-18(10-16)21(15(4)22)11-13(2)25-19/h5-10,13,20H,11H2,1-4H3/t13-/m1/s1

InChI Key

KMMJCYKNOKJLPM-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14854937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.964

Distribution Coefficient, logD

3.936

Water Solubility, LogSw

-4.03

Polar Surface Area

56.176

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

E470-1120 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E470-1120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E470-1120?
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What is the minimum amount of E470-1120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E470-1120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E470-1120
  • 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 E470-1120 available by request