T503-0145 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(propan-2-yl)-5H-thieno[2,3-c]pyrrole-2-carboxamide

T503-0145 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(propan-2-yl)-5H-thieno[2,3-c]pyrrole-2-carboxamide
T503-0145 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(propan-2-yl)-5H-thieno[2,3-c]pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T503-0145
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(propan-2-yl)-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

T503-0145

Molecular Formula

C18H18N2O3S (C18 H18 N2 O3 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(propan-2-yl)-5H-thieno[2,3-c]pyrrole-2-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-(propan-2-yl)-5H-thieno[23-c]pyrrole-2-carboxamide

SMILES

CC(C)n1cc2sc(C(NCc(cc3)cc4c3OCO4)=O)cc2c1

InChI

InChI=1S/C18H18N2O3S/c1-11(2)20-8-13-6-16(24-17(13)9-20)18(21)19-7-12-3-4-14-15(5-12)23-10-22-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,19,21)

InChI Key

NPGMNSAHSDEQSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.523

Distribution Coefficient, logD

3.523

Water Solubility, LogSw

-3.59

Polar Surface Area

46.890

Acid Dissociation Constant (pKa)

13.77

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

T503-0145 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Cardiovascular Library (22201 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with T503-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T503-0145?
Check Price and Availability of T503-0145, 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 T503-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T503-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T503-0145
  • 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 T503-0145 available by request