D505-0100 Screening compound: 2-methyl-4-[4-methyl-3-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)phenyl]-1,2,5,6,7,8-hexahydrophthalazin-1-one

D505-0100 Screening compound: 2-methyl-4-[4-methyl-3-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)phenyl]-1,2,5,6,7,8-hexahydrophthalazin-1-one
D505-0100 Screening compound: 2-methyl-4-[4-methyl-3-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)phenyl]-1,2,5,6,7,8-hexahydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D505-0100
2-methyl-4-[4-methyl-3-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)phenyl]-1,2,5,6,7,8-hexahydrophthalazin-1-one

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

D505-0100

Molecular Formula

C25H27N3O3S (C25 H27 N3 O3 S)

Compound Name

2-methyl-4-[4-methyl-3-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)phenyl]-1,2,5,6,7,8-hexahydrophthalazin-1-one

IUPAC name

2-methyl-4-[4-methyl-3-(1234-tetrahydroquinoline-1-sulfonyl)phenyl]-125678-hexahydrophthalazin-1-one

SMILES

Cc(ccc(C(C1=C2CCCC1)=NN(C)C2=O)c1)c1S(N(CCC1)c2c1cccc2)(=O)=O

InChI

InChI=1S/C25H27N3O3S/c1-17-13-14-19(24-20-10-4-5-11-21(20)25(29)27(2)26-24)16-23(17)32(30,31)28-15-7-9-18-8-3-6-12-22(18)28/h3,6,8,12-14,16H,4-5,7,9-11,15H2,1-2H3

InChI Key

XCTGKNDYYIAMOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.697

Distribution Coefficient, logD

4.697

Water Solubility, LogSw

-4.38

Polar Surface Area

58.490

Acid Dissociation Constant (pKa)

24.75

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

D505-0100 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D505-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D505-0100?
Check Price and Availability of D505-0100, 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 D505-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D505-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D505-0100
  • 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 D505-0100 available by request