C202-3311 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-{[2-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]oxy}acetamide

C202-3311 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-{[2-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]oxy}acetamide
C202-3311 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-{[2-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]oxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3311
N~1~-(3,4-dimethoxyphenyl)-2-{[2-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]oxy}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

C202-3311

Molecular Formula

C27H27N3O5S (C27 H27 N3 O5 S)

Compound Name

N~1~-(3,4-dimethoxyphenyl)-2-{[2-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]oxy}acetamide

IUPAC name

N-(34-dimethoxyphenyl)-2-{[5-(4-methoxyphenyl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl]oxy}acetamide

SMILES

COc(cc1)ccc1-c1nc(OCC(Nc(cc2)cc(OC)c2OC)=O)c(c(CCCC2)c2s2)c2n1

InChI

InChI=1S/C27H27N3O5S/c1-32-18-11-8-16(9-12-18)25-29-26(24-19-6-4-5-7-22(19)36-27(24)30-25)35-15-23(31)28-17-10-13-20(33-2)21(14-17)34-3/h8-14H,4-7,15H2,1-3H3,(H,28,31)

InChI Key

HJZWGUZJUICLRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.148

Distribution Coefficient, logD

6.148

Water Solubility, LogSw

-5.70

Polar Surface Area

73.502

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C202-3311 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-3311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3311?
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What is the minimum amount of C202-3311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3311
  • 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 C202-3311 available by request