D549-1050 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide

D549-1050 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide
D549-1050 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-1050
2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide

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

D549-1050

Molecular Formula

C22H21FN6OS2 (C22 H21 FN6 OS2)

Compound Name

2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide

IUPAC name

2-[(5-{3-aminothieno[23-b]pyridin-2-yl}-4-(4-fluorophenyl)-4H-124-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide

SMILES

Nc1c(-c(n2-c(cc3)ccc3F)nnc2SCC(NC2CCCC2)=O)sc2ncccc12

InChI

InChI=1S/C22H21FN6OS2/c23-13-7-9-15(10-8-13)29-20(19-18(24)16-6-3-11-25-21(16)32-19)27-28-22(29)31-12-17(30)26-14-4-1-2-5-14/h3,6-11,14H,1-2,4-5,12,24H2,(H,26,30)

InChI Key

PZVLZQBNAUWYFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.698

Distribution Coefficient, logD

3.698

Water Solubility, LogSw

-4.22

Polar Surface Area

78.814

Acid Dissociation Constant (pKa)

16.51

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D549-1050 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D549-1050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-1050?
Check Price and Availability of D549-1050, 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 D549-1050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-1050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-1050
  • 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 D549-1050 available by request