3010-1672 Screening compound: 1-[2,4,6-tris(propan-2-yl)benzenesulfonyl]azepane

3010-1672 Screening compound: 1-[2,4,6-tris(propan-2-yl)benzenesulfonyl]azepane
3010-1672 Screening compound: 1-[2,4,6-tris(propan-2-yl)benzenesulfonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 3010-1672
1-[2,4,6-tris(propan-2-yl)benzenesulfonyl]azepane

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

3010-1672

Molecular Formula

C21H35NO2S (C21 H35 NO2 S)

Compound Name

1-[2,4,6-tris(propan-2-yl)benzenesulfonyl]azepane

IUPAC name

1-[246-tris(propan-2-yl)benzenesulfonyl]azepane

SMILES

CC(C)c(cc1C(C)C)cc(C(C)C)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C21H35NO2S/c1-15(2)18-13-19(16(3)4)21(20(14-18)17(5)6)25(23,24)22-11-9-7-8-10-12-22/h13-17H,7-12H2,1-6H3

InChI Key

OHYMBVDJIFZIKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00378156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.955

Distribution Coefficient, logD

5.955

Water Solubility, LogSw

-5.39

Polar Surface Area

32.280

Acid Dissociation Constant (pKa)

22.40

Base Dissociation Constant (pKb)

-4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

3010-1672 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 3010-1672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3010-1672?
Check Price and Availability of 3010-1672, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3010-1672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3010-1672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3010-1672
  • 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 3010-1672 available by request