P861-0227 Screening compound: 6-(3-fluorophenyl)-N-(2-methoxyethyl)-3-methyl-2-(4-methylpiperazine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-amine

P861-0227 Screening compound: 6-(3-fluorophenyl)-N-(2-methoxyethyl)-3-methyl-2-(4-methylpiperazine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-amine
P861-0227 Screening compound: 6-(3-fluorophenyl)-N-(2-methoxyethyl)-3-methyl-2-(4-methylpiperazine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P861-0227
6-(3-fluorophenyl)-N-(2-methoxyethyl)-3-methyl-2-(4-methylpiperazine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-amine

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

P861-0227

Molecular Formula

C21H26FN5O2S (C21 H26 FN5 O2 S)

Compound Name

6-(3-fluorophenyl)-N-(2-methoxyethyl)-3-methyl-2-(4-methylpiperazine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-amine

IUPAC name

6-(3-fluorophenyl)-N-(2-methoxyethyl)-3-methyl-2-(4-methylpiperazine-1-carbonyl)imidazo[21-b][13]thiazol-5-amine

SMILES

Cc1c(C(N2CCN(C)CC2)=O)sc2nc(-c3cc(F)ccc3)c(NCCOC)n12

InChI

InChI=1S/C21H26FN5O2S/c1-14-18(20(28)26-10-8-25(2)9-11-26)30-21-24-17(15-5-4-6-16(22)13-15)19(27(14)21)23-7-12-29-3/h4-6,13,23H,7-12H2,1-3H3

InChI Key

CGUOTMMPJJZJSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.810

Distribution Coefficient, logD

2.684

Water Solubility, LogSw

-3.34

Polar Surface Area

48.226

Acid Dissociation Constant (pKa)

17.80

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

P861-0227 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P861-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P861-0227?
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What is the minimum amount of P861-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P861-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P861-0227
  • 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 P861-0227 available by request