C096-0130 Screening compound: N-[2-(dipropylamino)ethyl]-2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide

C096-0130 Screening compound: N-[2-(dipropylamino)ethyl]-2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide
C096-0130 Screening compound: N-[2-(dipropylamino)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 C096-0130
N-[2-(dipropylamino)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

C096-0130

Molecular Formula

C28H40N6O5S2 (C28 H40 N6 O5 S2)

Compound Name

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

SMILES

CCCN(CCC)CCNC(CN(C=Nc1c2c(S(N(CC3)CCN3c(cccc3)c3OC)(=O)=O)c(C)s1)C2=O)=O

InChI

InChI=1S/C28H40N6O5S2/c1-5-12-31(13-6-2)14-11-29-24(35)19-33-20-30-27-25(28(33)36)26(21(3)40-27)41(37,38)34-17-15-32(16-18-34)22-9-7-8-10-23(22)39-4/h7-10,20H,5-6,11-19H2,1-4H3,(H,29,35)

InChI Key

OOZDIJBJFBLFQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

604.8

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.326

Distribution Coefficient, logD

0.657

Water Solubility, LogSw

-2.77

Polar Surface Area

97.045

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

9.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.60

C096-0130 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C096-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C096-0130?
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What is the minimum amount of C096-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C096-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C096-0130
  • 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 C096-0130 available by request