L239-0075 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(pyrrolidine-1-carbonyl)-1H-indazol-1-yl]acetamide

L239-0075 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(pyrrolidine-1-carbonyl)-1H-indazol-1-yl]acetamide
L239-0075 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(pyrrolidine-1-carbonyl)-1H-indazol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L239-0075
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(pyrrolidine-1-carbonyl)-1H-indazol-1-yl]acetamide

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

L239-0075

Molecular Formula

C22H22N4O4 (C22 H22 N4 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-(pyrrolidine-1-carbonyl)-1H-indazol-1-yl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[3-(pyrrolidine-1-carbonyl)-1H-indazol-1-yl]acetamide

SMILES

O=C(Cn1nc(C(N2CCCC2)=O)c2c1cccc2)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H22N4O4/c27-20(23-12-15-7-8-18-19(11-15)30-14-29-18)13-26-17-6-2-1-5-16(17)21(24-26)22(28)25-9-3-4-10-25/h1-2,5-8,11H,3-4,9-10,12-14H2,(H,23,27)

InChI Key

KJULFHPQFXNHJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27237655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.253

Distribution Coefficient, logD

2.253

Water Solubility, LogSw

-3.01

Polar Surface Area

72.818

Acid Dissociation Constant (pKa)

14.62

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L239-0075 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L239-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L239-0075?
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What is the minimum amount of L239-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L239-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L239-0075
  • 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 L239-0075 available by request