D505-0132 Screening compound: N-(3-fluorophenyl)-2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide

D505-0132 Screening compound: N-(3-fluorophenyl)-2-methyl-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonamide
D505-0132 Screening compound: N-(3-fluorophenyl)-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 D505-0132
N-(3-fluorophenyl)-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

D505-0132

Molecular Formula

C22H22FN3O3S (C22 H22 FN3 O3 S)

Compound Name

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

IUPAC name

N-(3-fluorophenyl)-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(Nc1cc(F)ccc1)(=O)=O

InChI

InChI=1S/C22H22FN3O3S/c1-14-10-11-15(21-18-8-3-4-9-19(18)22(27)26(2)24-21)12-20(14)30(28,29)25-17-7-5-6-16(23)13-17/h5-7,10-13,25H,3-4,8-9H2,1-2H3

InChI Key

ASHVTYNMTUJPQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.669

Distribution Coefficient, logD

3.469

Water Solubility, LogSw

-4.40

Polar Surface Area

67.988

Acid Dissociation Constant (pKa)

6.23

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with D505-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D505-0132?
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What is the minimum amount of D505-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D505-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D505-0132
  • 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 D505-0132 available by request