C066-1954 Screening compound: ethyl 4-(2-{6-ethoxy-2,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)benzoate

C066-1954 Screening compound: ethyl 4-(2-{6-ethoxy-2,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)benzoate
C066-1954 Screening compound: ethyl 4-(2-{6-ethoxy-2,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1954
ethyl 4-(2-{6-ethoxy-2,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)benzoate

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

C066-1954

Molecular Formula

C21H23N3O5S (C21 H23 N3 O5 S)

Compound Name

ethyl 4-(2-{6-ethoxy-2,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{6-ethoxy-25-dimethyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(C(C)=Nc1c2c(C)c(OCC)s1)C2=O)=O)=O

InChI

InChI=1S/C21H23N3O5S/c1-5-28-20(27)14-7-9-15(10-8-14)23-16(25)11-24-13(4)22-18-17(19(24)26)12(3)21(30-18)29-6-2/h7-10H,5-6,11H2,1-4H3,(H,23,25)

InChI Key

FGTZBBGBNUALCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.741

Distribution Coefficient, logD

3.741

Water Solubility, LogSw

-4.18

Polar Surface Area

77.290

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C066-1954 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 C066-1954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1954?
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What is the minimum amount of C066-1954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1954
  • 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 C066-1954 available by request