D549-2101 Screening compound: 2-[5-(benzylsulfanyl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]thieno[2,3-b]pyridin-3-amine

D549-2101 Screening compound: 2-[5-(benzylsulfanyl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]thieno[2,3-b]pyridin-3-amine
D549-2101 Screening compound: 2-[5-(benzylsulfanyl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]thieno[2,3-b]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-2101
2-[5-(benzylsulfanyl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]thieno[2,3-b]pyridin-3-amine

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

D549-2101

Molecular Formula

C21H17N5OS2 (C21 H17 N5 OS2)

Compound Name

2-[5-(benzylsulfanyl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]thieno[2,3-b]pyridin-3-amine

IUPAC name

2-[5-(benzylsulfanyl)-4-[(furan-2-yl)methyl]-4H-124-triazol-3-yl]thieno[23-b]pyridin-3-amine

SMILES

Nc1c(-c(n2Cc3ccco3)nnc2SCc2ccccc2)sc2ncccc12

InChI

InChI=1S/C21H17N5OS2/c22-17-16-9-4-10-23-20(16)29-18(17)19-24-25-21(26(19)12-15-8-5-11-27-15)28-13-14-6-2-1-3-7-14/h1-11H,12-13,22H2

InChI Key

FUAGJFKIKUQJDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27592024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.150

Distribution Coefficient, logD

4.148

Water Solubility, LogSw

-4.43

Polar Surface Area

61.257

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D549-2101 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D549-2101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-2101?
Check Price and Availability of D549-2101, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D549-2101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-2101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-2101
  • 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 D549-2101 available by request