D505-0085 Screening compound: N-[(furan-2-yl)methyl]-2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide

D505-0085 Screening compound: N-[(furan-2-yl)methyl]-2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide
D505-0085 Screening compound: N-[(furan-2-yl)methyl]-2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D505-0085
N-[(furan-2-yl)methyl]-2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide

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

D505-0085

Molecular Formula

C21H23N3O4S (C21 H23 N3 O4 S)

Compound Name

N-[(furan-2-yl)methyl]-2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide

IUPAC name

N-[(furan-2-yl)methyl]-2-methyl-5-(3-methyl-4-oxo-345678-hexahydrophthalazin-1-yl)benzene-1-sulfonamide

SMILES

Cc(ccc(C(C1=C2CCCC1)=NN(C)C2=O)c1)c1S(NCc1ccco1)(=O)=O

InChI

InChI=1S/C21H23N3O4S/c1-14-9-10-15(12-19(14)29(26,27)22-13-16-6-5-11-28-16)20-17-7-3-4-8-18(17)21(25)24(2)23-20/h5-6,9-12,22H,3-4,7-8,13H2,1-2H3

InChI Key

SOQKRGQGKIRWMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.965

Distribution Coefficient, logD

3.963

Water Solubility, LogSw

-4.00

Polar Surface Area

76.845

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D505-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D505-0085?
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What is the minimum amount of D505-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D505-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D505-0085
  • 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 D505-0085 available by request