D549-1888 Screening compound: 1-{2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxamide

D549-1888 Screening compound: 1-{2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxamide
D549-1888 Screening compound: 1-{2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-1888
1-{2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxamide

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

D549-1888

Molecular Formula

C20H23N7O2S2 (C20 H23 N7 O2 S2)

Compound Name

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

IUPAC name

1-{2-[(5-{3-aminothieno[23-b]pyridin-2-yl}-4-cyclopropyl-4H-124-triazol-3-yl)sulfanyl]acetyl}piperidine-4-carboxamide

SMILES

NC(C(CC1)CCN1C(CSc1nnc(-c(sc2ncccc22)c2N)n1C1CC1)=O)=O

InChI

InChI=1S/C20H23N7O2S2/c21-15-13-2-1-7-23-19(13)31-16(15)18-24-25-20(27(18)12-3-4-12)30-10-14(28)26-8-5-11(6-9-26)17(22)29/h1-2,7,11-12H,3-6,8-10,21H2,(H2,22,29)

InChI Key

UDWWFCQMWNDHMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.043

Distribution Coefficient, logD

1.041

Water Solubility, LogSw

-2.13

Polar Surface Area

104.867

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

D549-1888 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D549-1888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-1888?
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What is the minimum amount of D549-1888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-1888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-1888
  • 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 D549-1888 available by request