P861-0098 Screening compound: 5-(cyclopentylamino)-6-(3-fluorophenyl)-N,N,3-trimethylimidazo[2,1-b][1,3]thiazole-2-carboxamide

P861-0098 Screening compound: 5-(cyclopentylamino)-6-(3-fluorophenyl)-N,N,3-trimethylimidazo[2,1-b][1,3]thiazole-2-carboxamide
P861-0098 Screening compound: 5-(cyclopentylamino)-6-(3-fluorophenyl)-N,N,3-trimethylimidazo[2,1-b][1,3]thiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P861-0098
5-(cyclopentylamino)-6-(3-fluorophenyl)-N,N,3-trimethylimidazo[2,1-b][1,3]thiazole-2-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

P861-0098

Molecular Formula

C20H23FN4OS (C20 H23 FN4 OS)

Compound Name

5-(cyclopentylamino)-6-(3-fluorophenyl)-N,N,3-trimethylimidazo[2,1-b][1,3]thiazole-2-carboxamide

IUPAC name

5-(cyclopentylamino)-6-(3-fluorophenyl)-NN3-trimethylimidazo[21-b][13]thiazole-2-carboxamide

SMILES

Cc1c(C(N(C)C)=O)sc2nc(-c3cc(F)ccc3)c(NC3CCCC3)n12

InChI

InChI=1S/C20H23FN4OS/c1-12-17(19(26)24(2)3)27-20-23-16(13-7-6-8-14(21)11-13)18(25(12)20)22-15-9-4-5-10-15/h6-8,11,15,22H,4-5,9-10H2,1-3H3

InChI Key

BMJOARIQQHAQIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.720

Distribution Coefficient, logD

3.714

Water Solubility, LogSw

-3.99

Polar Surface Area

35.738

Acid Dissociation Constant (pKa)

19.49

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

P861-0098 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

SmartTM Library (51161 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P861-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P861-0098?
Check Price and Availability of P861-0098, 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 P861-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P861-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P861-0098
  • 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 P861-0098 available by request