C186-0479 Screening compound: 2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]acetamide

C186-0479 Screening compound: 2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]acetamide
C186-0479 Screening compound: 2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C186-0479
2-{5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]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

C186-0479

Molecular Formula

C25H32N4O4S2 (C25 H32 N4 O4 S2)

Compound Name

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

IUPAC name

2-{5-[(35-dimethylpiperidin-1-yl)sulfonyl]-6-methyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]acetamide

SMILES

CC(C)c(cc1)ccc1NC(CN(C=Nc1c2c(S(N3CC(C)CC(C)C3)(=O)=O)c(C)s1)C2=O)=O

InChI

InChI=1S/C25H32N4O4S2/c1-15(2)19-6-8-20(9-7-19)27-21(30)13-28-14-26-24-22(25(28)31)23(18(5)34-24)35(32,33)29-11-16(3)10-17(4)12-29/h6-9,14-17H,10-13H2,1-5H3,(H,27,30)

InChI Key

OQOIGUNSISDRSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.496

Distribution Coefficient, logD

4.496

Water Solubility, LogSw

-4.35

Polar Surface Area

80.968

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.00

C186-0479 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C186-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C186-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C186-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C186-0479
  • 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 C186-0479 available by request