Y042-6377 Screening compound: 1-(1H-indazol-3-yl)-5-oxo-N~3~-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxamide

Y042-6377 Screening compound: 1-(1H-indazol-3-yl)-5-oxo-N~3~-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxamide
Y042-6377 Screening compound: 1-(1H-indazol-3-yl)-5-oxo-N~3~-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-6377
1-(1H-indazol-3-yl)-5-oxo-N~3~-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxamide

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

Y042-6377

Molecular Formula

C19H15F3N4O2 (C19 H15 F3 N4 O2)

Compound Name

1-(1H-indazol-3-yl)-5-oxo-N~3~-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxamide

IUPAC name

1-(1H-indazol-3-yl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

SMILES

O=C(C(CC1=O)CN1c1n[nH]c2c1cccc2)Nc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C19H15F3N4O2/c20-19(21,22)12-4-3-5-13(9-12)23-18(28)11-8-16(27)26(10-11)17-14-6-1-2-7-15(14)24-25-17/h1-7,9,11H,8,10H2,(H,23,28)(H,24,25)/t11-/m0/s1

InChI Key

OREFGGSJVBCRPI-NSHDSACASA-N

MDL Number (MFCD)

MFCD27962905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.324

Distribution Coefficient, logD

3.316

Water Solubility, LogSw

-3.55

Polar Surface Area

62.489

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.05

Y042-6377 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with Y042-6377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-6377?
Check Price and Availability of Y042-6377, 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 Y042-6377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-6377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-6377
  • 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 Y042-6377 available by request