E470-1594 Screening compound: N-(4-bromo-3-methylphenyl)-4,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

E470-1594 Screening compound: N-(4-bromo-3-methylphenyl)-4,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
E470-1594 Screening compound: N-(4-bromo-3-methylphenyl)-4,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E470-1594
N-(4-bromo-3-methylphenyl)-4,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-7-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

E470-1594

Molecular Formula

C17H19BrN2O3S (C17 H19 BrN2 O3 S)

Compound Name

N-(4-bromo-3-methylphenyl)-4,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

IUPAC name

N-(4-bromo-3-methylphenyl)-46-dimethyl-34-dihydro-2H-14-benzoxazine-7-sulfonamide

SMILES

Cc(cc1N(C)CCOc1c1)c1S(Nc(cc1)cc(C)c1Br)(=O)=O

InChI

InChI=1S/C17H19BrN2O3S/c1-11-8-13(4-5-14(11)18)19-24(21,22)17-10-16-15(9-12(17)2)20(3)6-7-23-16/h4-5,8-10,19H,6-7H2,1-3H3

InChI Key

JJCHGUOKMORHBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14855066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.299

Distribution Coefficient, logD

4.171

Water Solubility, LogSw

-4.19

Polar Surface Area

51.389

Acid Dissociation Constant (pKa)

7.86

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

E470-1594 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 E470-1594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E470-1594?
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What is the minimum amount of E470-1594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E470-1594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E470-1594
  • 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 E470-1594 available by request