L998-0013 Screening compound: 1-(3-acetamidophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

L998-0013 Screening compound: 1-(3-acetamidophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
L998-0013 Screening compound: 1-(3-acetamidophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L998-0013
1-(3-acetamidophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-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

L998-0013

Molecular Formula

C22H22N4O4S (C22 H22 N4 O4 S)

Compound Name

1-(3-acetamidophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-(3-acetamidophenyl)-N-(6-ethoxy-13-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

SMILES

CCOc(cc1)cc2c1nc(NC(C(CC1=O)CN1c1cc(NC(C)=O)ccc1)=O)s2

InChI

InChI=1S/C22H22N4O4S/c1-3-30-17-7-8-18-19(11-17)31-22(24-18)25-21(29)14-9-20(28)26(12-14)16-6-4-5-15(10-16)23-13(2)27/h4-8,10-11,14H,3,9,12H2,1-2H3,(H,23,27)(H,24,25,29)/t14-/m0/s1

InChI Key

XKZRXTUZHLRLML-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27491543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.063

Distribution Coefficient, logD

3.062

Water Solubility, LogSw

-3.26

Polar Surface Area

80.226

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

L998-0013 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L998-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L998-0013?
Check Price and Availability of L998-0013, 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 L998-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L998-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L998-0013
  • 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 L998-0013 available by request