C096-0126 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide

C096-0126 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide
C096-0126 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C096-0126
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-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

C096-0126

Molecular Formula

C30H42N6O5S2 (C30 H42 N6 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CC1CN(CCCNC(CN(C=Nc2c3c(S(N(CC4)CCN4c(cccc4)c4OC)(=O)=O)c(C)s2)C3=O)=O)CC(C)C1

InChI

InChI=1S/C30H42N6O5S2/c1-21-16-22(2)18-33(17-21)11-7-10-31-26(37)19-35-20-32-29-27(30(35)38)28(23(3)42-29)43(39,40)36-14-12-34(13-15-36)24-8-5-6-9-25(24)41-4/h5-6,8-9,20-22H,7,10-19H2,1-4H3,(H,31,37)

InChI Key

FSUALGNKZNVMGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

630.83

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.482

Distribution Coefficient, logD

-0.123

Water Solubility, LogSw

-2.80

Polar Surface Area

96.704

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.70

C096-0126 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C096-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C096-0126?
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What is the minimum amount of C096-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C096-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C096-0126
  • 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 C096-0126 available by request