D172-0335 Screening compound: 4-{1-[(2-CHLOROPHENYL)METHYL]-4-METHYL-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIDAZIN-7-YL}MORPHOLINE

D172-0335 Screening compound: 4-{1-[(2-CHLOROPHENYL)METHYL]-4-METHYL-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIDAZIN-7-YL}MORPHOLINE
D172-0335 Screening compound: 4-{1-[(2-CHLOROPHENYL)METHYL]-4-METHYL-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIDAZIN-7-YL}MORPHOLINE alternative view

Chemical Structure Depiction of ChemDiv screening compound D172-0335
4-{1-[(2-CHLOROPHENYL)METHYL]-4-METHYL-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIDAZIN-7-YL}MORPHOLINE

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

D172-0335

Molecular Formula

C16H17ClN6O (C16 H17 ClN6 O)

Compound Name

4-{1-[(2-CHLOROPHENYL)METHYL]-4-METHYL-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIDAZIN-7-YL}MORPHOLINE

IUPAC name

n/a

SMILES

Cc1c2nnn(Cc(cccc3)c3Cl)c2c(N2CCOCC2)nn1

InChI

InChI=1S/C16H17ClN6O/c1-11-14-15(16(20-18-11)22-6-8-24-9-7-22)23(21-19-14)10-12-4-2-3-5-13(12)17/h2-5H,6-10H2,1H3

InChI Key

ALUMBQAXOPNVLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.919

Distribution Coefficient, logD

1.919

Water Solubility, LogSw

-2.54

Polar Surface Area

59.825

Acid Dissociation Constant (pKa)

22.35

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D172-0335 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with D172-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D172-0335?
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What is the minimum amount of D172-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D172-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D172-0335
  • 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 D172-0335 available by request