E470-1364 Screening compound: 4-acetyl-N-[(2-chlorophenyl)methyl]-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

E470-1364 Screening compound: 4-acetyl-N-[(2-chlorophenyl)methyl]-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
E470-1364 Screening compound: 4-acetyl-N-[(2-chlorophenyl)methyl]-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E470-1364
4-acetyl-N-[(2-chlorophenyl)methyl]-6-methyl-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

E470-1364

Molecular Formula

C18H19ClN2O4S (C18 H19 ClN2 O4 S)

Compound Name

4-acetyl-N-[(2-chlorophenyl)methyl]-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

IUPAC name

4-acetyl-N-[(2-chlorophenyl)methyl]-6-methyl-34-dihydro-2H-14-benzoxazine-7-sulfonamide

SMILES

CC(N(CCOc1c2)c1cc(C)c2S(NCc(cccc1)c1Cl)(=O)=O)=O

InChI

InChI=1S/C18H19ClN2O4S/c1-12-9-16-17(25-8-7-21(16)13(2)22)10-18(12)26(23,24)20-11-14-5-3-4-6-15(14)19/h3-6,9-10,20H,7-8,11H2,1-2H3

InChI Key

XKJYPUFYSITPBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14855028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.236

Distribution Coefficient, logD

3.235

Water Solubility, LogSw

-3.45

Polar Surface Area

66.000

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

E470-1364 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E470-1364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E470-1364?
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What is the minimum amount of E470-1364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E470-1364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E470-1364
  • 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 E470-1364 available by request