E470-1711 Screening compound: N-benzyl-N-isopropyl-4,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

E470-1711 Screening compound: N-benzyl-N-isopropyl-4,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
E470-1711 Screening compound: N-benzyl-N-isopropyl-4,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E470-1711
N-benzyl-N-isopropyl-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

E470-1711

Molecular Formula

C20H26N2O3S (C20 H26 N2 O3 S)

Compound Name

N-benzyl-N-isopropyl-4,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

IUPAC name

N-benzyl-46-dimethyl-N-(propan-2-yl)-34-dihydro-2H-14-benzoxazine-7-sulfonamide

SMILES

CC(C)N(Cc1ccccc1)S(c1c(C)cc2N(C)CCOc2c1)(=O)=O

InChI

InChI=1S/C20H26N2O3S/c1-15(2)22(14-17-8-6-5-7-9-17)26(23,24)20-13-19-18(12-16(20)3)21(4)10-11-25-19/h5-9,12-13,15H,10-11,14H2,1-4H3

InChI Key

IACXBROOQZNDDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14855134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.063

Distribution Coefficient, logD

4.063

Water Solubility, LogSw

-4.11

Polar Surface Area

42.897

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E470-1711 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E470-1711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E470-1711?
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What is the minimum amount of E470-1711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E470-1711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E470-1711
  • 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 E470-1711 available by request