G680-0315 Screening compound: 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}azepane

G680-0315 Screening compound: 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}azepane
G680-0315 Screening compound: 1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound G680-0315
1-{[3,5-dimethyl-1-(4-methyl-3-nitrobenzoyl)-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

G680-0315

Molecular Formula

C19H24N4O5S (C19 H24 N4 O5 S)

Compound Name

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

IUPAC name

1-{[35-dimethyl-1-(4-methyl-3-nitrobenzoyl)-1H-pyrazol-4-yl]sulfonyl}azepane

SMILES

Cc(n(C(c1cc([N+]([O-])=O)c(C)cc1)=O)nc1C)c1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C19H24N4O5S/c1-13-8-9-16(12-17(13)23(25)26)19(24)22-15(3)18(14(2)20-22)29(27,28)21-10-6-4-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3

InChI Key

QFBVQBVVUMRCLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07803280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.408

Distribution Coefficient, logD

2.408

Water Solubility, LogSw

-2.61

Polar Surface Area

92.975

Acid Dissociation Constant (pKa)

25.83

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

References: we are preparing a list of scientific research reports with G680-0315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G680-0315?
Check Price and Availability of G680-0315, 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 G680-0315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G680-0315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G680-0315
  • 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 G680-0315 available by request