Y042-5755 Screening compound: N-(6-bromo-1H-indazol-3-yl)-1-isobutyl-5-oxo-3-pyrrolidinecarboxamide

Y042-5755 Screening compound: N-(6-bromo-1H-indazol-3-yl)-1-isobutyl-5-oxo-3-pyrrolidinecarboxamide
Y042-5755 Screening compound: N-(6-bromo-1H-indazol-3-yl)-1-isobutyl-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-5755
N-(6-bromo-1H-indazol-3-yl)-1-isobutyl-5-oxo-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

Y042-5755

Molecular Formula

C16H19BrN4O2 (C16 H19 BrN4 O2)

Compound Name

N-(6-bromo-1H-indazol-3-yl)-1-isobutyl-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

N-(6-bromo-1H-indazol-3-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

SMILES

CC(C)CN(CC(C1)C(Nc2n[nH]c3c2ccc(Br)c3)=O)C1=O

InChI

InChI=1S/C16H19BrN4O2/c1-9(2)7-21-8-10(5-14(21)22)16(23)18-15-12-4-3-11(17)6-13(12)19-20-15/h3-4,6,9-10H,5,7-8H2,1-2H3,(H2,18,19,20,23)/t10-/m0/s1

InChI Key

NOEFTAUCIMTFLB-JTQLQIEISA-N

MDL Number (MFCD)

MFCD22584665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.26

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

2.566

Distribution Coefficient, logD

2.565

Water Solubility, LogSw

-3.07

Polar Surface Area

63.913

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

Y042-5755 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 Y042-5755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-5755?
Check Price and Availability of Y042-5755, 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 Y042-5755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-5755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-5755
  • 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 Y042-5755 available by request