P058-0329 Screening compound: 6-methyl-4-(piperidin-1-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}thieno[2,3-d]pyrimidine-5-carboxamide

P058-0329 Screening compound: 6-methyl-4-(piperidin-1-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}thieno[2,3-d]pyrimidine-5-carboxamide
P058-0329 Screening compound: 6-methyl-4-(piperidin-1-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}thieno[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P058-0329
6-methyl-4-(piperidin-1-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}thieno[2,3-d]pyrimidine-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

P058-0329

Molecular Formula

C21H21F3N4OS (C21 H21 F3 N4 OS)

Compound Name

6-methyl-4-(piperidin-1-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}thieno[2,3-d]pyrimidine-5-carboxamide

IUPAC name

6-methyl-4-(piperidin-1-yl)-N-{[2-(trifluoromethyl)phenyl]methyl}thieno[23-d]pyrimidine-5-carboxamide

SMILES

Cc1c(C(NCc2c(C(F)(F)F)cccc2)=O)c2c(N3CCCCC3)ncnc2s1

InChI

InChI=1S/C21H21F3N4OS/c1-13-16(19(29)25-11-14-7-3-4-8-15(14)21(22,23)24)17-18(26-12-27-20(17)30-13)28-9-5-2-6-10-28/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,25,29)

InChI Key

UVLCEYWCZZXVCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27561515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.256

Distribution Coefficient, logD

5.256

Water Solubility, LogSw

-5.10

Polar Surface Area

48.952

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

P058-0329 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with P058-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P058-0329?
Check Price and Availability of P058-0329, 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 P058-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P058-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P058-0329
  • 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 P058-0329 available by request