Y031-2985 Screening compound: 2-fluoro-N-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}benzamide

Y031-2985 Screening compound: 2-fluoro-N-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}benzamide
Y031-2985 Screening compound: 2-fluoro-N-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2985
2-fluoro-N-{4-[(3-methylpiperidin-1-yl)sulfonyl]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

Y031-2985

Molecular Formula

C19H21FN2O3S (C19 H21 FN2 O3 S)

Compound Name

2-fluoro-N-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}benzamide

IUPAC name

2-fluoro-N-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}benzamide

SMILES

CC(CCC1)CN1S(c(cc1)ccc1NC(c(cccc1)c1F)=O)(=O)=O

InChI

InChI=1S/C19H21FN2O3S/c1-14-5-4-12-22(13-14)26(24,25)16-10-8-15(9-11-16)21-19(23)17-6-2-3-7-18(17)20/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,23)/t14-/m0/s1

InChI Key

IRPSJCDUOQLVJM-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD07140072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.406

Distribution Coefficient, logD

3.269

Water Solubility, LogSw

-3.97

Polar Surface Area

54.974

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

-3.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

Y031-2985 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-2985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2985?
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What is the minimum amount of Y031-2985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2985
  • 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 Y031-2985 available by request