C096-0070 Screening compound: N-[2-(dimethylamino)ethyl]-2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide

C096-0070 Screening compound: N-[2-(dimethylamino)ethyl]-2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide
C096-0070 Screening compound: N-[2-(dimethylamino)ethyl]-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 C096-0070
N-[2-(dimethylamino)ethyl]-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

C096-0070

Molecular Formula

C24H32N6O5S2 (C24 H32 N6 O5 S2)

Compound Name

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

SMILES

Cc(sc(N=CN1CC(NCCN(C)C)=O)c2C1=O)c2S(N(CC1)CCN1c(cccc1)c1OC)(=O)=O

InChI

InChI=1S/C24H32N6O5S2/c1-17-22(21-23(36-17)26-16-29(24(21)32)15-20(31)25-9-10-27(2)3)37(33,34)30-13-11-28(12-14-30)18-7-5-6-8-19(18)35-4/h5-8,16H,9-15H2,1-4H3,(H,25,31)

InChI Key

QBBHBDVEJICSJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.69

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.675

Distribution Coefficient, logD

-0.659

Water Solubility, LogSw

-2.28

Polar Surface Area

96.992

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

C096-0070 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C096-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C096-0070?
Check Price and Availability of C096-0070, 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 C096-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C096-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C096-0070
  • 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 C096-0070 available by request