C200-2061 Screening compound: ethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate

C200-2061 Screening compound: ethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
C200-2061 Screening compound: ethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2061
ethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-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

C200-2061

Molecular Formula

C27H26N4O6S (C27 H26 N4 O6 S)

Compound Name

ethyl 1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate

IUPAC name

ethyl 6-{[(3-methoxyphenyl)carbamoyl]methyl}-35-dioxo-4-phenyl-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-11-carboxylate

SMILES

CCOC(N(CC1)Cc2c1c(C(N(c1ccccc1)C(N1CC(Nc3cc(OC)ccc3)=O)=O)=O)c1s2)=O

InChI

InChI=1S/C27H26N4O6S/c1-3-37-27(35)29-13-12-20-21(15-29)38-25-23(20)24(33)31(18-9-5-4-6-10-18)26(34)30(25)16-22(32)28-17-8-7-11-19(14-17)36-2/h4-11,14H,3,12-13,15-16H2,1-2H3,(H,28,32)

InChI Key

ZDUQQQNBUIZDLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.821

Distribution Coefficient, logD

3.821

Water Solubility, LogSw

-4.24

Polar Surface Area

84.434

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C200-2061 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C200-2061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2061?
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What is the minimum amount of C200-2061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2061
  • 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 C200-2061 available by request