D549-1890 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide

D549-1890 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide
D549-1890 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-1890
2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopropyl-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

D549-1890

Molecular Formula

C19H22N6OS2 (C19 H22 N6 OS2)

Compound Name

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

IUPAC name

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

SMILES

Nc1c(-c(n2C3CC3)nnc2SCC(NC2CCCC2)=O)sc2ncccc12

InChI

InChI=1S/C19H22N6OS2/c20-15-13-6-3-9-21-18(13)28-16(15)17-23-24-19(25(17)12-7-8-12)27-10-14(26)22-11-4-1-2-5-11/h3,6,9,11-12H,1-2,4-5,7-8,10,20H2,(H,22,26)

InChI Key

IJSMKVHCXMIAEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.56

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

2.841

Distribution Coefficient, logD

2.839

Water Solubility, LogSw

-3.20

Polar Surface Area

78.978

Acid Dissociation Constant (pKa)

16.42

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

References: we are preparing a list of scientific research reports with D549-1890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-1890?
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What is the minimum amount of D549-1890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-1890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-1890
  • 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 D549-1890 available by request