C200-1074 Screening compound: methyl 2-(2-{3-benzyl-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl}acetamido)benzoate

C200-1074 Screening compound: methyl 2-(2-{3-benzyl-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl}acetamido)benzoate
C200-1074 Screening compound: methyl 2-(2-{3-benzyl-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1074
methyl 2-(2-{3-benzyl-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-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

C200-1074

Molecular Formula

C25H23N3O5S (C25 H23 N3 O5 S)

Compound Name

methyl 2-(2-{3-benzyl-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl}acetamido)benzoate

IUPAC name

methyl 2-(2-{3-benzyl-56-dimethyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidin-1-yl}acetamido)benzoate

SMILES

Cc1c(C)sc(N(CC(Nc(cccc2)c2C(OC)=O)=O)C(N2Cc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C25H23N3O5S/c1-15-16(2)34-23-21(15)22(30)27(13-17-9-5-4-6-10-17)25(32)28(23)14-20(29)26-19-12-8-7-11-18(19)24(31)33-3/h4-12H,13-14H2,1-3H3,(H,26,29)

InChI Key

ARJKRPJGAGGUSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.430

Distribution Coefficient, logD

4.419

Water Solubility, LogSw

-4.50

Polar Surface Area

75.344

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C200-1074 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C200-1074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1074?
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What is the minimum amount of C200-1074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1074
  • 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 C200-1074 available by request