8015-3420 Screening compound: N~1~-{2,5-diethoxy-4-[(4-hydroxy-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]phenyl}benzamide

8015-3420 Screening compound: N~1~-{2,5-diethoxy-4-[(4-hydroxy-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]phenyl}benzamide
8015-3420 Screening compound: N~1~-{2,5-diethoxy-4-[(4-hydroxy-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3420
N~1~-{2,5-diethoxy-4-[(4-hydroxy-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]phenyl}benzamide

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

8015-3420

Molecular Formula

C21H26N2O6S (C21 H26 N2 O6 S)

Compound Name

N~1~-{2,5-diethoxy-4-[(4-hydroxy-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]phenyl}benzamide

IUPAC name

N-{25-diethoxy-4-[(4-hydroxy-11-dioxo-1lambda6-thiolan-3-yl)amino]phenyl}benzamide

SMILES

CCOc(cc(c(OCC)c1)NC(c2ccccc2)=O)c1NC(CS(C1)(=O)=O)C1O

InChI

InChI=1S/C21H26N2O6S/c1-3-28-19-11-16(23-21(25)14-8-6-5-7-9-14)20(29-4-2)10-15(19)22-17-12-30(26,27)13-18(17)24/h5-11,17-18,22,24H,3-4,12-13H2,1-2H3,(H,23,25)

InChI Key

LBVMNRPPYMPMGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.663

Distribution Coefficient, logD

1.643

Water Solubility, LogSw

-2.57

Polar Surface Area

90.757

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

8015-3420 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-3420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3420?
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What is the minimum amount of 8015-3420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3420
  • 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 8015-3420 available by request