C200-3546 Screening compound: 2-{[7-acetyl-3-(3-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

C200-3546 Screening compound: 2-{[7-acetyl-3-(3-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
C200-3546 Screening compound: 2-{[7-acetyl-3-(3-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3546
2-{[7-acetyl-3-(3-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

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

C200-3546

Molecular Formula

C20H20N4O4S2 (C20 H20 N4 O4 S2)

Compound Name

2-{[7-acetyl-3-(3-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

2-{[11-acetyl-4-(3-methoxyphenyl)-3-oxo-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl]sulfanyl}acetamide

SMILES

CC(N(CC1)Cc2c1c(C(N(c1cc(OC)ccc1)C(SCC(N)=O)=N1)=O)c1s2)=O

InChI

InChI=1S/C20H20N4O4S2/c1-11(25)23-7-6-14-15(9-23)30-18-17(14)19(27)24(20(22-18)29-10-16(21)26)12-4-3-5-13(8-12)28-2/h3-5,8H,6-7,9-10H2,1-2H3,(H2,21,26)

InChI Key

AHXARKWHXGMUAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.510

Distribution Coefficient, logD

1.510

Water Solubility, LogSw

-2.42

Polar Surface Area

83.315

Acid Dissociation Constant (pKa)

15.95

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C200-3546 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C200-3546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3546?
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What is the minimum amount of C200-3546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3546
  • 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 C200-3546 available by request