C096-0548 Screening compound: N-(4-chlorophenyl)-N-methyl-2-{6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

C096-0548 Screening compound: N-(4-chlorophenyl)-N-methyl-2-{6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide
C096-0548 Screening compound: N-(4-chlorophenyl)-N-methyl-2-{6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C096-0548
N-(4-chlorophenyl)-N-methyl-2-{6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

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

C096-0548

Molecular Formula

C22H25ClN4O4S2 (C22 H25 ClN4 O4 S2)

Compound Name

N-(4-chlorophenyl)-N-methyl-2-{6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide

IUPAC name

N-(4-chlorophenyl)-N-methyl-2-{6-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}acetamide

SMILES

CC(CC1)CCN1S(c1c(C)sc(N=CN2CC(N(C)c(cc3)ccc3Cl)=O)c1C2=O)(=O)=O

InChI

InChI=1S/C22H25ClN4O4S2/c1-14-8-10-27(11-9-14)33(30,31)20-15(2)32-21-19(20)22(29)26(13-24-21)12-18(28)25(3)17-6-4-16(23)5-7-17/h4-7,13-14H,8-12H2,1-3H3

InChI Key

UYMMWHWMFHAHLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.05

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.585

Distribution Coefficient, logD

2.585

Water Solubility, LogSw

-3.41

Polar Surface Area

73.065

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C096-0548 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C096-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C096-0548?
Check Price and Availability of C096-0548, 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 C096-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C096-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C096-0548
  • 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 C096-0548 available by request