P058-0465 Screening compound: 6-methyl-4-(3-methylpiperidin-1-yl)-N-[3-(methylsulfanyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide

P058-0465 Screening compound: 6-methyl-4-(3-methylpiperidin-1-yl)-N-[3-(methylsulfanyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
P058-0465 Screening compound: 6-methyl-4-(3-methylpiperidin-1-yl)-N-[3-(methylsulfanyl)phenyl]thieno[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P058-0465
6-methyl-4-(3-methylpiperidin-1-yl)-N-[3-(methylsulfanyl)phenyl]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

P058-0465

Molecular Formula

C21H24N4OS2 (C21 H24 N4 OS2)

Compound Name

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

IUPAC name

6-methyl-4-(3-methylpiperidin-1-yl)-N-[3-(methylsulfanyl)phenyl]thieno[23-d]pyrimidine-5-carboxamide

SMILES

CC(CCC1)CN1c1c(c(C(Nc2cc(SC)ccc2)=O)c(C)s2)c2ncn1

InChI

InChI=1S/C21H24N4OS2/c1-13-6-5-9-25(11-13)19-18-17(14(2)28-21(18)23-12-22-19)20(26)24-15-7-4-8-16(10-15)27-3/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3,(H,24,26)/t13-/m0/s1

InChI Key

BFCLJVJWRHBNFZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27561551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.218

Distribution Coefficient, logD

5.218

Water Solubility, LogSw

-5.22

Polar Surface Area

47.563

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

P058-0465 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P058-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P058-0465?
Check Price and Availability of P058-0465, 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 P058-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P058-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P058-0465
  • 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 P058-0465 available by request