D549-2078 Screening compound: 2-[4-(2-methoxyethyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]thieno[2,3-b]pyridin-3-amine

D549-2078 Screening compound: 2-[4-(2-methoxyethyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]thieno[2,3-b]pyridin-3-amine
D549-2078 Screening compound: 2-[4-(2-methoxyethyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]thieno[2,3-b]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-2078
2-[4-(2-methoxyethyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-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

D549-2078

Molecular Formula

C20H21N5OS2 (C20 H21 N5 OS2)

Compound Name

2-[4-(2-methoxyethyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]thieno[2,3-b]pyridin-3-amine

IUPAC name

2-[4-(2-methoxyethyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-124-triazol-3-yl]thieno[23-b]pyridin-3-amine

SMILES

Cc1ccc(CSc2nnc(-c(sc3ncccc33)c3N)n2CCOC)cc1

InChI

InChI=1S/C20H21N5OS2/c1-13-5-7-14(8-6-13)12-27-20-24-23-18(25(20)10-11-26-2)17-16(21)15-4-3-9-22-19(15)28-17/h3-9H,10-12,21H2,1-2H3

InChI Key

OOGQGRLFURTHPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27592008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.591

Distribution Coefficient, logD

3.590

Water Solubility, LogSw

-3.60

Polar Surface Area

62.100

Acid Dissociation Constant (pKa)

19.66

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D549-2078 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D549-2078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-2078?
Check Price and Availability of D549-2078, 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 D549-2078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-2078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-2078
  • 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 D549-2078 available by request