D076-0197 Screening compound: 2-butoxy-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)benzamide

D076-0197 Screening compound: 2-butoxy-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)benzamide
D076-0197 Screening compound: 2-butoxy-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D076-0197
2-butoxy-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)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

D076-0197

Molecular Formula

C22H26FNO4S (C22 H26 FNO4 S)

Compound Name

2-butoxy-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(3-fluorobenzyl)benzamide

IUPAC name

2-butoxy-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(3-fluorophenyl)methyl]benzamide

SMILES

CCCCOc(cccc1)c1C(N(Cc1cc(F)ccc1)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C22H26FNO4S/c1-2-3-12-28-21-10-5-4-9-20(21)22(25)24(19-11-13-29(26,27)16-19)15-17-7-6-8-18(23)14-17/h4-10,14,19H,2-3,11-13,15-16H2,1H3/t19-/m1/s1

InChI Key

MYQRSWGOMAXINE-LJQANCHMSA-N

MDL Number (MFCD)

MFCD07427794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.481

Distribution Coefficient, logD

3.481

Water Solubility, LogSw

-3.74

Polar Surface Area

51.364

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-6.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

D076-0197 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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 D076-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D076-0197?
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What is the minimum amount of D076-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D076-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D076-0197
  • 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 D076-0197 available by request