C200-9303 Screening compound: N~1~-(2-methoxy-5-methylphenyl)-2-{[4-oxo-3-(4-propoxybenzyl)-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

C200-9303 Screening compound: N~1~-(2-methoxy-5-methylphenyl)-2-{[4-oxo-3-(4-propoxybenzyl)-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
C200-9303 Screening compound: N~1~-(2-methoxy-5-methylphenyl)-2-{[4-oxo-3-(4-propoxybenzyl)-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9303
N~1~-(2-methoxy-5-methylphenyl)-2-{[4-oxo-3-(4-propoxybenzyl)-3,4-dihydropyrido[3',2':4,5]thieno[3,2-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

C200-9303

Molecular Formula

C29H28N4O4S2 (C29 H28 N4 O4 S2)

Compound Name

N~1~-(2-methoxy-5-methylphenyl)-2-{[4-oxo-3-(4-propoxybenzyl)-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(2-methoxy-5-methylphenyl)-2-({6-oxo-5-[(4-propoxyphenyl)methyl]-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl}sulfanyl)acetamide

SMILES

CCCOc1ccc(CN(C2=O)C(SCC(Nc(cc(C)cc3)c3OC)=O)=Nc3c2sc2ncccc23)cc1

InChI

InChI=1S/C29H28N4O4S2/c1-4-14-37-20-10-8-19(9-11-20)16-33-28(35)26-25(21-6-5-13-30-27(21)39-26)32-29(33)38-17-24(34)31-22-15-18(2)7-12-23(22)36-3/h5-13,15H,4,14,16-17H2,1-3H3,(H,31,34)

InChI Key

DQJKUCBKRKTACW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.448

Distribution Coefficient, logD

5.448

Water Solubility, LogSw

-5.51

Polar Surface Area

71.171

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C200-9303 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-9303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9303?
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What is the minimum amount of C200-9303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9303
  • 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 C200-9303 available by request