T503-0417 Screening compound: 5-cyclopropyl-N~2~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-5H-thieno[2,3-c]pyrrole-2-carboxamide

T503-0417 Screening compound: 5-cyclopropyl-N~2~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-5H-thieno[2,3-c]pyrrole-2-carboxamide
T503-0417 Screening compound: 5-cyclopropyl-N~2~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-5H-thieno[2,3-c]pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T503-0417
5-cyclopropyl-N~2~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-5H-thieno[2,3-c]pyrrole-2-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

T503-0417

Molecular Formula

C22H25N3OS (C22 H25 N3 OS)

Compound Name

5-cyclopropyl-N~2~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-5H-thieno[2,3-c]pyrrole-2-carboxamide

IUPAC name

n/a

SMILES

O=C(c1cc2cn(C3CC3)cc2s1)NCCCN(CC1)Cc2c1cccc2

InChI

InChI=1S/C22H25N3OS/c26-22(20-12-18-14-25(19-6-7-19)15-21(18)27-20)23-9-3-10-24-11-8-16-4-1-2-5-17(16)13-24/h1-2,4-5,12,14-15,19H,3,6-11,13H2,(H,23,26)

InChI Key

JOZCISKHVQKFOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29025446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.730

Distribution Coefficient, logD

2.580

Water Solubility, LogSw

-3.84

Polar Surface Area

32.821

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

T503-0417 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with T503-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T503-0417?
Check Price and Availability of T503-0417, 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 T503-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T503-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T503-0417
  • 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 T503-0417 available by request