D549-0562 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-(3,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(morpholin-4-yl)ethan-1-one

D549-0562 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-(3,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(morpholin-4-yl)ethan-1-one
D549-0562 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-(3,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-0562
2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-(3,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(morpholin-4-yl)ethan-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

D549-0562

Molecular Formula

C23H24N6O2S2 (C23 H24 N6 O2 S2)

Compound Name

2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-(3,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(morpholin-4-yl)ethan-1-one

IUPAC name

2-[(5-{3-aminothieno[23-b]pyridin-2-yl}-4-(35-dimethylphenyl)-4H-124-triazol-3-yl)sulfanyl]-1-(morpholin-4-yl)ethan-1-one

SMILES

Cc1cc(-n2c(SCC(N3CCOCC3)=O)nnc2-c(sc2ncccc22)c2N)cc(C)c1

InChI

InChI=1S/C23H24N6O2S2/c1-14-10-15(2)12-16(11-14)29-21(20-19(24)17-4-3-5-25-22(17)33-20)26-27-23(29)32-13-18(30)28-6-8-31-9-7-28/h3-5,10-12H,6-9,13,24H2,1-2H3

InChI Key

HWAAGMZKYNTPDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.295

Distribution Coefficient, logD

3.295

Water Solubility, LogSw

-3.29

Polar Surface Area

78.552

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

D549-0562 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D549-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-0562?
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What is the minimum amount of D549-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-0562
  • 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 D549-0562 available by request