F187-0213 Screening compound: 5-amino-4-(1,3-benzothiazol-2-yl)-1-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-2,3-dihydro-1H-pyrrol-3-one

F187-0213 Screening compound: 5-amino-4-(1,3-benzothiazol-2-yl)-1-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-2,3-dihydro-1H-pyrrol-3-one
F187-0213 Screening compound: 5-amino-4-(1,3-benzothiazol-2-yl)-1-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-2,3-dihydro-1H-pyrrol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F187-0213
5-amino-4-(1,3-benzothiazol-2-yl)-1-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-2,3-dihydro-1H-pyrrol-3-one

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

F187-0213

Molecular Formula

C25H28N4OS (C25 H28 N4 OS)

Compound Name

5-amino-4-(1,3-benzothiazol-2-yl)-1-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-2,3-dihydro-1H-pyrrol-3-one

IUPAC name

5-amino-4-(13-benzothiazol-2-yl)-1-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-23-dihydro-1H-pyrrol-3-one

SMILES

Cc1ccc(CN2CCC(CN(CC3=O)C(N)=C3c3nc(cccc4)c4s3)CC2)cc1

InChI

InChI=1S/C25H28N4OS/c1-17-6-8-18(9-7-17)14-28-12-10-19(11-13-28)15-29-16-21(30)23(24(29)26)25-27-20-4-2-3-5-22(20)31-25/h2-9,19H,10-16,26H2,1H3

InChI Key

IBIOQRHORJXCQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27107916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.401

Distribution Coefficient, logD

1.922

Water Solubility, LogSw

-4.37

Polar Surface Area

50.598

Acid Dissociation Constant (pKa)

16.72

Base Dissociation Constant (pKb)

9.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

F187-0213 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F187-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F187-0213?
Check Price and Availability of F187-0213, 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 F187-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F187-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F187-0213
  • 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 F187-0213 available by request