P518-0274 Screening compound: 5-CYCLOPROPYL-N-[3-(TRIFLUOROMETHYL)BENZYL]-5,6-DIHYDRO-4H-THIENO[2,3-C]PYRROLE-2-CARBOXAMIDE

P518-0274 Screening compound: 5-CYCLOPROPYL-N-[3-(TRIFLUOROMETHYL)BENZYL]-5,6-DIHYDRO-4H-THIENO[2,3-C]PYRROLE-2-CARBOXAMIDE
P518-0274 Screening compound: 5-CYCLOPROPYL-N-[3-(TRIFLUOROMETHYL)BENZYL]-5,6-DIHYDRO-4H-THIENO[2,3-C]PYRROLE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P518-0274
5-CYCLOPROPYL-N-[3-(TRIFLUOROMETHYL)BENZYL]-5,6-DIHYDRO-4H-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

P518-0274

Molecular Formula

C18H17F3N2OS (C18 H17 F3 N2 OS)

Compound Name

5-CYCLOPROPYL-N-[3-(TRIFLUOROMETHYL)BENZYL]-5,6-DIHYDRO-4H-THIENO[2,3-C]PYRROLE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(c1cc(CN(C2)C3CC3)c2s1)NCc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C18H17F3N2OS/c19-18(20,21)13-3-1-2-11(6-13)8-22-17(24)15-7-12-9-23(14-4-5-14)10-16(12)25-15/h1-3,6-7,14H,4-5,8-10H2,(H,22,24)

InChI Key

ZCGLKPOYAPSVFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.933

Distribution Coefficient, logD

1.407

Water Solubility, LogSw

-4.18

Polar Surface Area

29.248

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

P518-0274 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with P518-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P518-0274?
Check Price and Availability of P518-0274, 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 P518-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P518-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P518-0274
  • 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 P518-0274 available by request