J106-0713 Screening compound: 1-(6-bromo-1H-indazol-3-yl)-4-(thiomorpholine-4-carbonyl)pyrrolidin-2-one

J106-0713 Screening compound: 1-(6-bromo-1H-indazol-3-yl)-4-(thiomorpholine-4-carbonyl)pyrrolidin-2-one
J106-0713 Screening compound: 1-(6-bromo-1H-indazol-3-yl)-4-(thiomorpholine-4-carbonyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J106-0713
1-(6-bromo-1H-indazol-3-yl)-4-(thiomorpholine-4-carbonyl)pyrrolidin-2-one

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

J106-0713

Molecular Formula

C16H17BrN4O2S (C16 H17 BrN4 O2 S)

Compound Name

1-(6-bromo-1H-indazol-3-yl)-4-(thiomorpholine-4-carbonyl)pyrrolidin-2-one

IUPAC name

1-(6-bromo-1H-indazol-3-yl)-4-(thiomorpholine-4-carbonyl)pyrrolidin-2-one

SMILES

O=C(C(CC1=O)CN1c1n[nH]c2c1ccc(Br)c2)N1CCSCC1

InChI

InChI=1S/C16H17BrN4O2S/c17-11-1-2-12-13(8-11)18-19-15(12)21-9-10(7-14(21)22)16(23)20-3-5-24-6-4-20/h1-2,8,10H,3-7,9H2,(H,18,19)/t10-/m1/s1

InChI Key

YEDZLWQTKYZEAF-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD23139872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.180

Distribution Coefficient, logD

2.180

Water Solubility, LogSw

-2.87

Polar Surface Area

56.046

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

J106-0713 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J106-0713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J106-0713?
Check Price and Availability of J106-0713, 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 J106-0713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J106-0713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J106-0713
  • 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 J106-0713 available by request