P058-0526 Screening compound: N-(4-fluoro-2-methylphenyl)-6-methyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-5-carboxamide

P058-0526 Screening compound: N-(4-fluoro-2-methylphenyl)-6-methyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-5-carboxamide
P058-0526 Screening compound: N-(4-fluoro-2-methylphenyl)-6-methyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P058-0526
N-(4-fluoro-2-methylphenyl)-6-methyl-4-(3-methylpiperidin-1-yl)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

P058-0526

Molecular Formula

C21H23FN4OS (C21 H23 FN4 OS)

Compound Name

N-(4-fluoro-2-methylphenyl)-6-methyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-5-carboxamide

IUPAC name

N-(4-fluoro-2-methylphenyl)-6-methyl-4-(3-methylpiperidin-1-yl)thieno[23-d]pyrimidine-5-carboxamide

SMILES

CC(CCC1)CN1c1c(c(C(Nc(cc2)c(C)cc2F)=O)c(C)s2)c2ncn1

InChI

InChI=1S/C21H23FN4OS/c1-12-5-4-8-26(10-12)19-18-17(14(3)28-21(18)24-11-23-19)20(27)25-16-7-6-15(22)9-13(16)2/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,25,27)/t12-/m0/s1

InChI Key

HVFOYLOQGVKBFA-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27561564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.974

Distribution Coefficient, logD

4.974

Water Solubility, LogSw

-4.98

Polar Surface Area

46.865

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

P058-0526 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P058-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P058-0526?
Check Price and Availability of P058-0526, 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 P058-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P058-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P058-0526
  • 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 P058-0526 available by request