8122-1866 Screening compound: 1-[2-methoxy-5-(propan-2-yl)benzenesulfonyl]-1H-imidazole

8122-1866 Screening compound: 1-[2-methoxy-5-(propan-2-yl)benzenesulfonyl]-1H-imidazole
8122-1866 Screening compound: 1-[2-methoxy-5-(propan-2-yl)benzenesulfonyl]-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8122-1866
1-[2-methoxy-5-(propan-2-yl)benzenesulfonyl]-1H-imidazole

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

8122-1866

Molecular Formula

C13H16N2O3S (C13 H16 N2 O3 S)

Compound Name

1-[2-methoxy-5-(propan-2-yl)benzenesulfonyl]-1H-imidazole

IUPAC name

1-[2-methoxy-5-(propan-2-yl)benzenesulfonyl]-1H-imidazole

SMILES

CC(C)c(cc1)cc(S(n2cncc2)(=O)=O)c1OC

InChI

InChI=1S/C13H16N2O3S/c1-10(2)11-4-5-12(18-3)13(8-11)19(16,17)15-7-6-14-9-15/h4-10H,1-3H3

InChI Key

SCVQKROBQGJKTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06405523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.086

Distribution Coefficient, logD

2.086

Water Solubility, LogSw

-2.43

Polar Surface Area

48.554

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

8122-1866 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8122-1866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8122-1866?
Check Price and Availability of 8122-1866, 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 8122-1866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8122-1866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8122-1866
  • 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 8122-1866 available by request