C153-0088 Screening compound: 1-{[3-methyl-2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-5-yl]sulfonyl}azepane

C153-0088 Screening compound: 1-{[3-methyl-2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-5-yl]sulfonyl}azepane
C153-0088 Screening compound: 1-{[3-methyl-2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-5-yl]sulfonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound C153-0088
1-{[3-methyl-2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-5-yl]sulfonyl}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

C153-0088

Molecular Formula

C22H30N2O4S (C22 H30 N2 O4 S)

Compound Name

1-{[3-methyl-2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-5-yl]sulfonyl}azepane

IUPAC name

1-{[3-methyl-2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-5-yl]sulfonyl}azepane

SMILES

CC(CC1)CCN1C(c1c(C)c(cc(cc2)S(N3CCCCCC3)(=O)=O)c2o1)=O

InChI

InChI=1S/C22H30N2O4S/c1-16-9-13-23(14-10-16)22(25)21-17(2)19-15-18(7-8-20(19)28-21)29(26,27)24-11-5-3-4-6-12-24/h7-8,15-16H,3-6,9-14H2,1-2H3

InChI Key

RTDYRYCSONSEPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05029227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.433

Distribution Coefficient, logD

4.433

Water Solubility, LogSw

-4.22

Polar Surface Area

57.455

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

References: we are preparing a list of scientific research reports with C153-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C153-0088?
Check Price and Availability of C153-0088, 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 C153-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C153-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C153-0088
  • 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 C153-0088 available by request