L996-0879 Screening compound: 2-(1-ethyl-1H-pyrrol-2-yl)-4-methyl-N-[(3,4,5-triethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide

L996-0879 Screening compound: 2-(1-ethyl-1H-pyrrol-2-yl)-4-methyl-N-[(3,4,5-triethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
L996-0879 Screening compound: 2-(1-ethyl-1H-pyrrol-2-yl)-4-methyl-N-[(3,4,5-triethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L996-0879
2-(1-ethyl-1H-pyrrol-2-yl)-4-methyl-N-[(3,4,5-triethoxyphenyl)methyl]-1,3-thiazole-5-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

L996-0879

Molecular Formula

C24H31N3O4S (C24 H31 N3 O4 S)

Compound Name

2-(1-ethyl-1H-pyrrol-2-yl)-4-methyl-N-[(3,4,5-triethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide

IUPAC name

2-(1-ethyl-1H-pyrrol-2-yl)-4-methyl-N-[(345-triethoxyphenyl)methyl]-13-thiazole-5-carboxamide

SMILES

CCn1c(-c2nc(C)c(C(NCc(cc3OCC)cc(OCC)c3OCC)=O)s2)ccc1

InChI

InChI=1S/C24H31N3O4S/c1-6-27-12-10-11-18(27)24-26-16(5)22(32-24)23(28)25-15-17-13-19(29-7-2)21(31-9-4)20(14-17)30-8-3/h10-14H,6-9,15H2,1-5H3,(H,25,28)

InChI Key

BMFBZRTUMSHPIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.611

Distribution Coefficient, logD

4.611

Water Solubility, LogSw

-4.32

Polar Surface Area

58.266

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

L996-0879 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L996-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L996-0879?
Check Price and Availability of L996-0879, 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 L996-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L996-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L996-0879
  • 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 L996-0879 available by request