8017-6252 Screening compound: N~1~-[2-(3,5-dimethylphenoxy)ethyl]-2-fluoro-5-(morpholinosulfonyl)benzamide

8017-6252 Screening compound: N~1~-[2-(3,5-dimethylphenoxy)ethyl]-2-fluoro-5-(morpholinosulfonyl)benzamide
8017-6252 Screening compound: N~1~-[2-(3,5-dimethylphenoxy)ethyl]-2-fluoro-5-(morpholinosulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6252
N~1~-[2-(3,5-dimethylphenoxy)ethyl]-2-fluoro-5-(morpholinosulfonyl)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

8017-6252

Molecular Formula

C21H25FN2O5S (C21 H25 FN2 O5 S)

Compound Name

N~1~-[2-(3,5-dimethylphenoxy)ethyl]-2-fluoro-5-(morpholinosulfonyl)benzamide

IUPAC name

N-[2-(35-dimethylphenoxy)ethyl]-2-fluoro-5-(morpholine-4-sulfonyl)benzamide

SMILES

Cc1cc(OCCNC(c(cc(cc2)S(N3CCOCC3)(=O)=O)c2F)=O)cc(C)c1

InChI

InChI=1S/C21H25FN2O5S/c1-15-11-16(2)13-17(12-15)29-8-5-23-21(25)19-14-18(3-4-20(19)22)30(26,27)24-6-9-28-10-7-24/h3-4,11-14H,5-10H2,1-2H3,(H,23,25)

InChI Key

NOVQVJAVHMOVHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06616979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.700

Distribution Coefficient, logD

3.700

Water Solubility, LogSw

-3.96

Polar Surface Area

71.530

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

8017-6252 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 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 8017-6252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6252?
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What is the minimum amount of 8017-6252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6252
  • 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 8017-6252 available by request