1259-0063 Screening compound: N-[(furan-2-yl)methyl]-2,4,6-tris(propan-2-yl)benzene-1-sulfonamide

1259-0063 Screening compound: N-[(furan-2-yl)methyl]-2,4,6-tris(propan-2-yl)benzene-1-sulfonamide
1259-0063 Screening compound: N-[(furan-2-yl)methyl]-2,4,6-tris(propan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1259-0063
N-[(furan-2-yl)methyl]-2,4,6-tris(propan-2-yl)benzene-1-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

1259-0063

Molecular Formula

C20H29NO3S (C20 H29 NO3 S)

Compound Name

N-[(furan-2-yl)methyl]-2,4,6-tris(propan-2-yl)benzene-1-sulfonamide

IUPAC name

N-[(furan-2-yl)methyl]-246-tris(propan-2-yl)benzene-1-sulfonamide

SMILES

CC(C)c(cc1C(C)C)cc(C(C)C)c1S(NCc1ccco1)(=O)=O

InChI

InChI=1S/C20H29NO3S/c1-13(2)16-10-18(14(3)4)20(19(11-16)15(5)6)25(22,23)21-12-17-8-7-9-24-17/h7-11,13-15,21H,12H2,1-6H3

InChI Key

OGUNOJJGFWUYSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.534

Distribution Coefficient, logD

5.533

Water Solubility, LogSw

-5.54

Polar Surface Area

49.745

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-6.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

1259-0063 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1259-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1259-0063?
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What is the minimum amount of 1259-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1259-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1259-0063
  • 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 1259-0063 available by request