C066-1859 Screening compound: ethyl 3-({[4-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

C066-1859 Screening compound: ethyl 3-({[4-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
C066-1859 Screening compound: ethyl 3-({[4-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1859
ethyl 3-({[4-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

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

C066-1859

Molecular Formula

C21H21N3O6S (C21 H21 N3 O6 S)

Compound Name

ethyl 3-({[4-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 3-({[4-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCOC(c1c(C)c(C(N(CC(Nc(cc2)ccc2C(OCC)=O)=O)C=N2)=O)c2s1)=O

InChI

InChI=1S/C21H21N3O6S/c1-4-29-20(27)13-6-8-14(9-7-13)23-15(25)10-24-11-22-18-16(19(24)26)12(3)17(31-18)21(28)30-5-2/h6-9,11H,4-5,10H2,1-3H3,(H,23,25)

InChI Key

SIXNPCFPPONJBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05463857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.162

Distribution Coefficient, logD

3.162

Water Solubility, LogSw

-3.29

Polar Surface Area

90.898

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C066-1859 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C066-1859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1859?
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What is the minimum amount of C066-1859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1859
  • 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 C066-1859 available by request