1180-0002 Screening compound: quinolin-8-yl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate

1180-0002 Screening compound: quinolin-8-yl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate
1180-0002 Screening compound: quinolin-8-yl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1180-0002
quinolin-8-yl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate

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

1180-0002

Molecular Formula

C24H29NO3S (C24 H29 NO3 S)

Compound Name

quinolin-8-yl 2,4,6-tris(propan-2-yl)benzene-1-sulfonate

IUPAC name

quinolin-8-yl 246-tris(propan-2-yl)benzene-1-sulfonate

SMILES

CC(C)c(cc1C(C)C)cc(C(C)C)c1S(Oc1cccc2cccnc12)(=O)=O

InChI

InChI=1S/C24H29NO3S/c1-15(2)19-13-20(16(3)4)24(21(14-19)17(5)6)29(26,27)28-22-11-7-9-18-10-8-12-25-23(18)22/h7-17H,1-6H3

InChI Key

HRFZQJXLFXZUMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01435260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.077

Distribution Coefficient, logD

6.061

Water Solubility, LogSw

-6.09

Polar Surface Area

45.620

Acid Dissociation Constant (pKa)

22.40

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

1180-0002 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1180-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1180-0002?
Check Price and Availability of 1180-0002, 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 1180-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1180-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1180-0002
  • 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 1180-0002 available by request