T503-0578 Screening compound: ethyl 4-{5-cyclopentyl-5H-thieno[2,3-c]pyrrole-2-amido}piperidine-1-carboxylate

T503-0578 Screening compound: ethyl 4-{5-cyclopentyl-5H-thieno[2,3-c]pyrrole-2-amido}piperidine-1-carboxylate
T503-0578 Screening compound: ethyl 4-{5-cyclopentyl-5H-thieno[2,3-c]pyrrole-2-amido}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound T503-0578
ethyl 4-{5-cyclopentyl-5H-thieno[2,3-c]pyrrole-2-amido}piperidine-1-carboxylate

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

T503-0578

Molecular Formula

C20H27N3O3S (C20 H27 N3 O3 S)

Compound Name

ethyl 4-{5-cyclopentyl-5H-thieno[2,3-c]pyrrole-2-amido}piperidine-1-carboxylate

IUPAC name

ethyl 4-{5-cyclopentyl-5H-thieno[23-c]pyrrole-2-amido}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c1cc2cn(C3CCCC3)cc2s1)=O)=O

InChI

InChI=1S/C20H27N3O3S/c1-2-26-20(25)22-9-7-15(8-10-22)21-19(24)17-11-14-12-23(13-18(14)27-17)16-5-3-4-6-16/h11-13,15-16H,2-10H2,1H3,(H,21,24)

InChI Key

BQGFCAVNJXKLPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29025467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.554

Distribution Coefficient, logD

3.554

Water Solubility, LogSw

-3.77

Polar Surface Area

51.875

Acid Dissociation Constant (pKa)

15.40

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

T503-0578 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T503-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T503-0578?
Check Price and Availability of T503-0578, 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 T503-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T503-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T503-0578
  • 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 T503-0578 available by request