D308-0105 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-({5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetamide

D308-0105 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-({5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetamide
D308-0105 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-({5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D308-0105
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-({5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetamide

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

D308-0105

Molecular Formula

C25H24N6O2S (C25 H24 N6 O2 S)

Compound Name

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-({5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetamide

IUPAC name

N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-2-({59-dimethyl-[124]triazolo[43-a]quinolin-1-yl}sulfanyl)acetamide

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(CSc1nnc2n1c(c(C)ccc1)c1c(C)c2)=O

InChI

InChI=1S/C25H24N6O2S/c1-15-9-8-12-19-16(2)13-20-27-28-25(30(20)23(15)19)34-14-21(32)26-22-17(3)29(4)31(24(22)33)18-10-6-5-7-11-18/h5-13H,14H2,1-4H3,(H,26,32)

InChI Key

SBCSIKNQRRARSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09057320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.978

Distribution Coefficient, logD

2.945

Water Solubility, LogSw

-3.30

Polar Surface Area

64.388

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D308-0105 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D308-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D308-0105?
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What is the minimum amount of D308-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D308-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D308-0105
  • 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 D308-0105 available by request