0783-0286 Screening compound: N-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-2,4,6-tris(propan-2-yl)benzene-1-sulfonamide

0783-0286 Screening compound: N-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-2,4,6-tris(propan-2-yl)benzene-1-sulfonamide
0783-0286 Screening compound: N-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-2,4,6-tris(propan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0783-0286
N-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-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

0783-0286

Molecular Formula

C24H39NO2S (C24 H39 NO2 S)

Compound Name

N-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-2,4,6-tris(propan-2-yl)benzene-1-sulfonamide

IUPAC name

N-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-246-tris(propan-2-yl)benzene-1-sulfonamide

SMILES

CC(C)c(cc1C(C)C)cc(C(C)C)c1S(NC(C)C1C(CC2)CC2C1)(=O)=O

InChI

InChI=1S/C24H39NO2S/c1-14(2)20-12-21(15(3)4)24(22(13-20)16(5)6)28(26,27)25-17(7)23-11-18-8-9-19(23)10-18/h12-19,23,25H,8-11H2,1-7H3

InChI Key

XYBDIWKKPAUGME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00547349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.170

Distribution Coefficient, logD

7.170

Water Solubility, LogSw

-5.70

Polar Surface Area

42.218

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

-5.64

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

75.00

0783-0286 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0783-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0783-0286?
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What is the minimum amount of 0783-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0783-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0783-0286
  • 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 0783-0286 available by request