T503-0454 Screening compound: 2-(4-{5-cyclopentyl-5H-thieno[2,3-c]pyrrole-2-carbonyl}piperazin-1-yl)pyrimidine

T503-0454 Screening compound: 2-(4-{5-cyclopentyl-5H-thieno[2,3-c]pyrrole-2-carbonyl}piperazin-1-yl)pyrimidine
T503-0454 Screening compound: 2-(4-{5-cyclopentyl-5H-thieno[2,3-c]pyrrole-2-carbonyl}piperazin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T503-0454
2-(4-{5-cyclopentyl-5H-thieno[2,3-c]pyrrole-2-carbonyl}piperazin-1-yl)pyrimidine

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

T503-0454

Molecular Formula

C20H23N5OS (C20 H23 N5 OS)

Compound Name

2-(4-{5-cyclopentyl-5H-thieno[2,3-c]pyrrole-2-carbonyl}piperazin-1-yl)pyrimidine

IUPAC name

2-(4-{5-cyclopentyl-5H-thieno[23-c]pyrrole-2-carbonyl}piperazin-1-yl)pyrimidine

SMILES

O=C(c1cc2cn(C3CCCC3)cc2s1)N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C20H23N5OS/c26-19(23-8-10-24(11-9-23)20-21-6-3-7-22-20)17-12-15-13-25(14-18(15)27-17)16-4-1-2-5-16/h3,6-7,12-14,16H,1-2,4-5,8-11H2

InChI Key

FFEJUQCFBJVKOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29025450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.529

Distribution Coefficient, logD

3.529

Water Solubility, LogSw

-3.53

Polar Surface Area

43.227

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

T503-0454 in Drug Discovery

Included in Screening Libraries

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

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 T503-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T503-0454?
Check Price and Availability of T503-0454, 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 T503-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T503-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T503-0454
  • 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 T503-0454 available by request