T503-0877 Screening compound: 1-[(3-fluorophenyl)methyl]-4-[5-(propan-2-yl)-5H-thieno[2,3-c]pyrrole-2-carbonyl]piperazine

T503-0877 Screening compound: 1-[(3-fluorophenyl)methyl]-4-[5-(propan-2-yl)-5H-thieno[2,3-c]pyrrole-2-carbonyl]piperazine
T503-0877 Screening compound: 1-[(3-fluorophenyl)methyl]-4-[5-(propan-2-yl)-5H-thieno[2,3-c]pyrrole-2-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T503-0877
1-[(3-fluorophenyl)methyl]-4-[5-(propan-2-yl)-5H-thieno[2,3-c]pyrrole-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

T503-0877

Molecular Formula

C21H24FN3OS (C21 H24 FN3 OS)

Compound Name

1-[(3-fluorophenyl)methyl]-4-[5-(propan-2-yl)-5H-thieno[2,3-c]pyrrole-2-carbonyl]piperazine

IUPAC name

1-[(3-fluorophenyl)methyl]-4-[5-(propan-2-yl)-5H-thieno[23-c]pyrrole-2-carbonyl]piperazine

SMILES

CC(C)n1cc2sc(C(N3CCN(Cc4cc(F)ccc4)CC3)=O)cc2c1

InChI

InChI=1S/C21H24FN3OS/c1-15(2)25-13-17-11-19(27-20(17)14-25)21(26)24-8-6-23(7-9-24)12-16-4-3-5-18(22)10-16/h3-5,10-11,13-15H,6-9,12H2,1-2H3

InChI Key

BPKGVRZMDWVOOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29025597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.720

Distribution Coefficient, logD

3.712

Water Solubility, LogSw

-3.79

Polar Surface Area

25.550

Acid Dissociation Constant (pKa)

26.43

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

T503-0877 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T503-0877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T503-0877?
Check Price and Availability of T503-0877, 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 T503-0877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T503-0877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T503-0877
  • 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 T503-0877 available by request