L802-0862 Screening compound: 2-(1,5-dimethyl-1H-pyrrol-2-yl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazole

L802-0862 Screening compound: 2-(1,5-dimethyl-1H-pyrrol-2-yl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazole
L802-0862 Screening compound: 2-(1,5-dimethyl-1H-pyrrol-2-yl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L802-0862
2-(1,5-dimethyl-1H-pyrrol-2-yl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazole

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

L802-0862

Molecular Formula

C14H17N3OS (C14 H17 N3 OS)

Compound Name

2-(1,5-dimethyl-1H-pyrrol-2-yl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazole

IUPAC name

2-(15-dimethyl-1H-pyrrol-2-yl)-4-(pyrrolidine-1-carbonyl)-13-thiazole

SMILES

Cc1ccc(-c2nc(C(N3CCCC3)=O)cs2)n1C

InChI

InChI=1S/C14H17N3OS/c1-10-5-6-12(16(10)2)13-15-11(9-19-13)14(18)17-7-3-4-8-17/h5-6,9H,3-4,7-8H2,1-2H3

InChI Key

AHLZJUGWPVFNQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.631

Distribution Coefficient, logD

2.631

Water Solubility, LogSw

-2.74

Polar Surface Area

29.243

Acid Dissociation Constant (pKa)

28.00

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

L802-0862 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with L802-0862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L802-0862?
Check Price and Availability of L802-0862, 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 L802-0862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L802-0862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L802-0862
  • 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 L802-0862 available by request