8015-9522 Screening compound: N~1~-(3-methoxy-2-pyrazinyl)-4-[({[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}carbothioyl)amino]-1-benzenesulfonamide

8015-9522 Screening compound: N~1~-(3-methoxy-2-pyrazinyl)-4-[({[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}carbothioyl)amino]-1-benzenesulfonamide
8015-9522 Screening compound: N~1~-(3-methoxy-2-pyrazinyl)-4-[({[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}carbothioyl)amino]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-9522
N~1~-(3-methoxy-2-pyrazinyl)-4-[({[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}carbothioyl)amino]-1-benzenesulfonamide

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

8015-9522

Molecular Formula

C23H20N6O5S2 (C23 H20 N6 O5 S2)

Compound Name

N~1~-(3-methoxy-2-pyrazinyl)-4-[({[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}carbothioyl)amino]-1-benzenesulfonamide

IUPAC name

n/a

SMILES

Cc1c(C(NC(Nc(cc2)ccc2S(Nc2nccnc2OC)(=O)=O)=S)=O)c(-c2ccccc2)no1

InChI

InChI=1S/C23H20N6O5S2/c1-14-18(19(28-34-14)15-6-4-3-5-7-15)21(30)27-23(35)26-16-8-10-17(11-9-16)36(31,32)29-20-22(33-2)25-13-12-24-20/h3-13H,1-2H3,(H,24,29)(H2,26,27,30,35)

InChI Key

DAXTZGNWEOTGTK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.58

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.465

Distribution Coefficient, logD

1.964

Water Solubility, LogSw

-4.08

Polar Surface Area

122.886

Acid Dissociation Constant (pKa)

5.91

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 8015-9522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-9522?
Check Price and Availability of 8015-9522, 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 8015-9522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-9522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-9522
  • 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 8015-9522 available by request