G680-0100 Screening compound: 1-{[1-(3,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}azepane

G680-0100 Screening compound: 1-{[1-(3,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}azepane
G680-0100 Screening compound: 1-{[1-(3,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound G680-0100
1-{[1-(3,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrazol-4-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

G680-0100

Molecular Formula

C20H27N3O3S (C20 H27 N3 O3 S)

Compound Name

1-{[1-(3,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}azepane

IUPAC name

1-{[1-(34-dimethylbenzoyl)-35-dimethyl-1H-pyrazol-4-yl]sulfonyl}azepane

SMILES

Cc(n(C(c1cc(C)c(C)cc1)=O)nc1C)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C20H27N3O3S/c1-14-9-10-18(13-15(14)2)20(24)23-17(4)19(16(3)21-23)27(25,26)22-11-7-5-6-8-12-22/h9-10,13H,5-8,11-12H2,1-4H3

InChI Key

ZCGRIDRQTXHCJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07803276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

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

3.045

Distribution Coefficient, logD

3.045

Water Solubility, LogSw

-3.15

Polar Surface Area

59.894

Acid Dissociation Constant (pKa)

25.83

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G680-0100 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G680-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G680-0100?
Check Price and Availability of G680-0100, 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 G680-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G680-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G680-0100
  • 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 G680-0100 available by request