L414-1657 Screening compound: N-(3-ETHYLPHENYL)-2-{[1-(4-METHYLPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]SULFANYL}PROPANAMIDE

L414-1657 Screening compound: N-(3-ETHYLPHENYL)-2-{[1-(4-METHYLPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]SULFANYL}PROPANAMIDE
L414-1657 Screening compound: N-(3-ETHYLPHENYL)-2-{[1-(4-METHYLPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]SULFANYL}PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L414-1657
N-(3-ETHYLPHENYL)-2-{[1-(4-METHYLPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]SULFANYL}PROPANAMIDE

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

L414-1657

Molecular Formula

C22H23N3O2S (C22 H23 N3 O2 S)

Compound Name

N-(3-ETHYLPHENYL)-2-{[1-(4-METHYLPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]SULFANYL}PROPANAMIDE

IUPAC name

n/a

SMILES

CCc1cccc(NC(C(C)SC(C=C2)=NN(c3ccc(C)cc3)C2=O)=O)c1

InChI

InChI=1S/C22H23N3O2S/c1-4-17-6-5-7-18(14-17)23-22(27)16(3)28-20-12-13-21(26)25(24-20)19-10-8-15(2)9-11-19/h5-14,16H,4H2,1-3H3,(H,23,27)/t16-/m0/s1

InChI Key

DEMUFJQMFVZPPM-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15126667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

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

4.720

Distribution Coefficient, logD

4.720

Water Solubility, LogSw

-4.50

Polar Surface Area

50.911

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

L414-1657 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L414-1657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L414-1657?
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What is the minimum amount of L414-1657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L414-1657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L414-1657
  • 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 L414-1657 available by request