T749-0580 Screening compound: 1-[4-(pyridin-4-yl)-1H-pyrazol-3-yl]-4-(thiophene-2-carbonyl)piperazine

T749-0580 Screening compound: 1-[4-(pyridin-4-yl)-1H-pyrazol-3-yl]-4-(thiophene-2-carbonyl)piperazine
T749-0580 Screening compound: 1-[4-(pyridin-4-yl)-1H-pyrazol-3-yl]-4-(thiophene-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T749-0580
1-[4-(pyridin-4-yl)-1H-pyrazol-3-yl]-4-(thiophene-2-carbonyl)piperazine

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

T749-0580

Molecular Formula

C17H17N5OS (C17 H17 N5 OS)

Compound Name

1-[4-(pyridin-4-yl)-1H-pyrazol-3-yl]-4-(thiophene-2-carbonyl)piperazine

IUPAC name

1-[4-(pyridin-4-yl)-1H-pyrazol-3-yl]-4-(thiophene-2-carbonyl)piperazine

SMILES

O=C(c1cccs1)N(CC1)CCN1c1n[nH]cc1-c1ccncc1

InChI

InChI=1S/C17H17N5OS/c23-17(15-2-1-11-24-15)22-9-7-21(8-10-22)16-14(12-19-20-16)13-3-5-18-6-4-13/h1-6,11-12H,7-10H2,(H,19,20)

InChI Key

DDSCYDWRPJXKKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27623309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.403

Distribution Coefficient, logD

2.399

Water Solubility, LogSw

-2.62

Polar Surface Area

53.946

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

T749-0580 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with T749-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T749-0580?
Check Price and Availability of T749-0580, 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 T749-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T749-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T749-0580
  • 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 T749-0580 available by request