D294-4678 Screening compound: 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

D294-4678 Screening compound: 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
D294-4678 Screening compound: 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D294-4678
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-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

D294-4678

Molecular Formula

C19H18F3N5O3S (C19 H18 F3 N5 O3 S)

Compound Name

1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

IUPAC name

1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxo-N-[5-(trifluoromethyl)-134-thiadiazol-2-yl]pyrrolidine-3-carboxamide

SMILES

COc(cc1)cc2c1[nH]cc2CCN(CC(C1)C(Nc2nnc(C(F)(F)F)s2)=O)C1=O

InChI

InChI=1S/C19H18F3N5O3S/c1-30-12-2-3-14-13(7-12)10(8-23-14)4-5-27-9-11(6-15(27)28)16(29)24-18-26-25-17(31-18)19(20,21)22/h2-3,7-8,11,23H,4-6,9H2,1H3,(H,24,26,29)/t11-/m0/s1

InChI Key

FECUDJBLJLFJMJ-NSHDSACASA-N

MDL Number (MFCD)

MFCD09443940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.314

Distribution Coefficient, logD

-0.226

Water Solubility, LogSw

-3.08

Polar Surface Area

81.463

Acid Dissociation Constant (pKa)

4.86

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

D294-4678 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D294-4678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D294-4678?
Check Price and Availability of D294-4678, 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 D294-4678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D294-4678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D294-4678
  • 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 D294-4678 available by request