D549-1984 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide

D549-1984 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide
D549-1984 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-1984
2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]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

D549-1984

Molecular Formula

C22H24N6OS2 (C22 H24 N6 OS2)

Compound Name

2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide

IUPAC name

2-[(5-{3-aminothieno[23-b]pyridin-2-yl}-4-ethyl-4H-124-triazol-3-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide

SMILES

CCn1c(SCC(Nc2ccc(C(C)C)cc2)=O)nnc1-c(sc1ncccc11)c1N

InChI

InChI=1S/C22H24N6OS2/c1-4-28-20(19-18(23)16-6-5-11-24-21(16)31-19)26-27-22(28)30-12-17(29)25-15-9-7-14(8-10-15)13(2)3/h5-11,13H,4,12,23H2,1-3H3,(H,25,29)

InChI Key

JWOPDECDTIPARV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18912806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.608

Distribution Coefficient, logD

4.607

Water Solubility, LogSw

-4.33

Polar Surface Area

76.654

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with D549-1984 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-1984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-1984
  • 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 D549-1984 available by request