L239-0017 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-(pyrrolidine-1-carbonyl)-1H-indazol-1-yl]acetamide

L239-0017 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-(pyrrolidine-1-carbonyl)-1H-indazol-1-yl]acetamide
L239-0017 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-(pyrrolidine-1-carbonyl)-1H-indazol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L239-0017
N-(6-methoxy-1,3-benzothiazol-2-yl)-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

L239-0017

Molecular Formula

C22H21N5O3S (C22 H21 N5 O3 S)

Compound Name

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-(pyrrolidine-1-carbonyl)-1H-indazol-1-yl]acetamide

IUPAC name

N-(6-methoxy-13-benzothiazol-2-yl)-2-[3-(pyrrolidine-1-carbonyl)-1H-indazol-1-yl]acetamide

SMILES

COc(cc1)cc2c1nc(NC(Cn1nc(C(N3CCCC3)=O)c3c1cccc3)=O)s2

InChI

InChI=1S/C22H21N5O3S/c1-30-14-8-9-16-18(12-14)31-22(23-16)24-19(28)13-27-17-7-3-2-6-15(17)20(25-27)21(29)26-10-4-5-11-26/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,23,24,28)

InChI Key

VEACCOLUXJSZLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27237643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.51

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

3.588

Distribution Coefficient, logD

3.588

Water Solubility, LogSw

-3.93

Polar Surface Area

71.686

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L239-0017 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L239-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L239-0017?
Check Price and Availability of L239-0017, 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 L239-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L239-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L239-0017
  • 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 L239-0017 available by request