J106-0667 Screening compound: 1-(6-bromo-1H-indazol-3-yl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

J106-0667 Screening compound: 1-(6-bromo-1H-indazol-3-yl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
J106-0667 Screening compound: 1-(6-bromo-1H-indazol-3-yl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J106-0667
1-(6-bromo-1H-indazol-3-yl)-N-(2-methoxyethyl)-5-oxopyrrolidine-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

J106-0667

Molecular Formula

C15H17BrN4O3 (C15 H17 BrN4 O3)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(C(CC1=O)CN1c1n[nH]c2c1ccc(Br)c2)=O

InChI

InChI=1S/C15H17BrN4O3/c1-23-5-4-17-15(22)9-6-13(21)20(8-9)14-11-3-2-10(16)7-12(11)18-19-14/h2-3,7,9H,4-6,8H2,1H3,(H,17,22)(H,18,19)/t9-/m1/s1

InChI Key

IBNRRMMIXDXJGT-SECBINFHSA-N

MDL Number (MFCD)

MFCD23139737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.629

Distribution Coefficient, logD

1.629

Water Solubility, LogSw

-2.10

Polar Surface Area

72.266

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

J106-0667 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J106-0667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J106-0667?
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What is the minimum amount of J106-0667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J106-0667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J106-0667
  • 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 J106-0667 available by request