L414-0553 Screening compound: 2-{[1-(3,4-DIMETHYLPHENYL)-6-OXO-1,6-DIHYDRO-3-PYRIDAZINYL]SULFANYL}-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE

L414-0553 Screening compound: 2-{[1-(3,4-DIMETHYLPHENYL)-6-OXO-1,6-DIHYDRO-3-PYRIDAZINYL]SULFANYL}-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
L414-0553 Screening compound: 2-{[1-(3,4-DIMETHYLPHENYL)-6-OXO-1,6-DIHYDRO-3-PYRIDAZINYL]SULFANYL}-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L414-0553
2-{[1-(3,4-DIMETHYLPHENYL)-6-OXO-1,6-DIHYDRO-3-PYRIDAZINYL]SULFANYL}-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE

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

L414-0553

Molecular Formula

C21H18F3N3O2S (C21 H18 F3 N3 O2 S)

Compound Name

2-{[1-(3,4-DIMETHYLPHENYL)-6-OXO-1,6-DIHYDRO-3-PYRIDAZINYL]SULFANYL}-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE

IUPAC name

n/a

SMILES

Cc(cc1)c(C)cc1N(C(C=C1)=O)N=C1SCC(Nc1c(C(F)(F)F)cccc1)=O

InChI

InChI=1S/C21H18F3N3O2S/c1-13-7-8-15(11-14(13)2)27-20(29)10-9-19(26-27)30-12-18(28)25-17-6-4-3-5-16(17)21(22,23)24/h3-11H,12H2,1-2H3,(H,25,28)

InChI Key

RBXZUCZPVYNYKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15126490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.699

Distribution Coefficient, logD

4.699

Water Solubility, LogSw

-4.49

Polar Surface Area

49.999

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with L414-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L414-0553?
Check Price and Availability of L414-0553, 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 L414-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L414-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L414-0553
  • 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 L414-0553 available by request