T503-0757 Screening compound: N-[(3-chloro-4-fluorophenyl)methyl]-5-(propan-2-yl)-5H-thieno[2,3-c]pyrrole-2-carboxamide

T503-0757 Screening compound: N-[(3-chloro-4-fluorophenyl)methyl]-5-(propan-2-yl)-5H-thieno[2,3-c]pyrrole-2-carboxamide
T503-0757 Screening compound: N-[(3-chloro-4-fluorophenyl)methyl]-5-(propan-2-yl)-5H-thieno[2,3-c]pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T503-0757
N-[(3-chloro-4-fluorophenyl)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

T503-0757

Molecular Formula

C17H16ClFN2OS (C17 H16 ClFN2 OS)

Compound Name

N-[(3-chloro-4-fluorophenyl)methyl]-5-(propan-2-yl)-5H-thieno[2,3-c]pyrrole-2-carboxamide

IUPAC name

N-[(3-chloro-4-fluorophenyl)methyl]-5-(propan-2-yl)-5H-thieno[23-c]pyrrole-2-carboxamide

SMILES

CC(C)n1cc2sc(C(NCc(cc3)cc(Cl)c3F)=O)cc2c1

InChI

InChI=1S/C17H16ClFN2OS/c1-10(2)21-8-12-6-15(23-16(12)9-21)17(22)20-7-11-3-4-14(19)13(18)5-11/h3-6,8-10H,7H2,1-2H3,(H,20,22)

InChI Key

IVNNWEOTSIWXNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29025603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.84

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.225

Distribution Coefficient, logD

4.225

Water Solubility, LogSw

-4.43

Polar Surface Area

29.774

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

T503-0757 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with T503-0757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T503-0757?
Check Price and Availability of T503-0757, 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 T503-0757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T503-0757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T503-0757
  • 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 T503-0757 available by request