8017-0137 Screening compound: 2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-N~1~-(2-morpholinoethyl)-1-benzenesulfonamide

8017-0137 Screening compound: 2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-N~1~-(2-morpholinoethyl)-1-benzenesulfonamide
8017-0137 Screening compound: 2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-N~1~-(2-morpholinoethyl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0137
2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-N~1~-(2-morpholinoethyl)-1-benzenesulfonamide

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

8017-0137

Molecular Formula

C23H26N6O3S (C23 H26 N6 O3 S)

Compound Name

2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-N~1~-(2-morpholinoethyl)-1-benzenesulfonamide

IUPAC name

2-methyl-5-{3-methyl-[124]triazolo[34-a]phthalazin-6-yl}-N-[2-(morpholin-4-yl)ethyl]benzene-1-sulfonamide

SMILES

Cc1nnc2n1nc(-c1cc(S(NCCN3CCOCC3)(=O)=O)c(C)cc1)c1c2cccc1

InChI

InChI=1S/C23H26N6O3S/c1-16-7-8-18(15-21(16)33(30,31)24-9-10-28-11-13-32-14-12-28)22-19-5-3-4-6-20(19)23-26-25-17(2)29(23)27-22/h3-8,15,24H,9-14H2,1-2H3

InChI Key

BFHCIZVZDLBNQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06005680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.099

Distribution Coefficient, logD

2.090

Water Solubility, LogSw

-2.78

Polar Surface Area

87.710

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

8017-0137 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0137?
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What is the minimum amount of 8017-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0137
  • 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 8017-0137 available by request