Y041-9415 Screening compound: N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide

Y041-9415 Screening compound: N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Y041-9415 Screening compound: N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-9415
N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide

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

Y041-9415

Molecular Formula

C18H16ClN3O2S (C18 H16 ClN3 O2 S)

Compound Name

N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide

IUPAC name

N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-3-methyl-4-oxo-34-dihydrophthalazine-1-carboxamide

SMILES

CN1N=C(C(NCCSc(cc2)ccc2Cl)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C18H16ClN3O2S/c1-22-18(24)15-5-3-2-4-14(15)16(21-22)17(23)20-10-11-25-13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3,(H,20,23)

InChI Key

DTUOIYHHMBNDGB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.776

Distribution Coefficient, logD

2.776

Water Solubility, LogSw

-3.73

Polar Surface Area

51.672

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with Y041-9415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-9415?
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What is the minimum amount of Y041-9415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-9415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-9415
  • 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 Y041-9415 available by request