C096-0360 Screening compound: ethyl 2-({2-[6-methyl-5-(morpholinosulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)acetate

C096-0360 Screening compound: ethyl 2-({2-[6-methyl-5-(morpholinosulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)acetate
C096-0360 Screening compound: ethyl 2-({2-[6-methyl-5-(morpholinosulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C096-0360
ethyl 2-({2-[6-methyl-5-(morpholinosulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)acetate

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

C096-0360

Molecular Formula

C17H22N4O7S2 (C17 H22 N4 O7 S2)

Compound Name

ethyl 2-({2-[6-methyl-5-(morpholinosulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}amino)acetate

IUPAC name

ethyl 2-{2-[6-methyl-5-(morpholine-4-sulfonyl)-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl]acetamido}acetate

SMILES

CCOC(CNC(CN(C=Nc1c2c(S(N3CCOCC3)(=O)=O)c(C)s1)C2=O)=O)=O

InChI

InChI=1S/C17H22N4O7S2/c1-3-28-13(23)8-18-12(22)9-20-10-19-16-14(17(20)24)15(11(2)29-16)30(25,26)21-4-6-27-7-5-21/h10H,3-9H2,1-2H3,(H,18,22)

InChI Key

RRECSBQUGVDDEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.52

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.392

Distribution Coefficient, logD

-0.392

Water Solubility, LogSw

-1.67

Polar Surface Area

110.762

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

C096-0360 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C096-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C096-0360?
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What is the minimum amount of C096-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C096-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C096-0360
  • 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 C096-0360 available by request