C200-3932 Screening compound: methyl 3-({[7-acetyl-3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate

C200-3932 Screening compound: methyl 3-({[7-acetyl-3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate
C200-3932 Screening compound: methyl 3-({[7-acetyl-3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3932
methyl 3-({[7-acetyl-3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate

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

C200-3932

Molecular Formula

C29H29N3O6S2 (C29 H29 N3 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N1C(SCc(cc(cc2)C(OC)=O)c2OC)=Nc(sc(C2)c3CCN2C(C)=O)c3C1=O

InChI

InChI=1S/C29H29N3O6S2/c1-5-38-21-9-7-20(8-10-21)32-27(34)25-22-12-13-31(17(2)33)15-24(22)40-26(25)30-29(32)39-16-19-14-18(28(35)37-4)6-11-23(19)36-3/h6-11,14H,5,12-13,15-16H2,1-4H3

InChI Key

XETYLXRFIHJXFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.7

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.689

Distribution Coefficient, logD

4.689

Water Solubility, LogSw

-4.62

Polar Surface Area

78.039

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

References: we are preparing a list of scientific research reports with C200-3932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3932?
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What is the minimum amount of C200-3932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3932
  • 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 C200-3932 available by request