C202-3300 Screening compound: 2-{[2-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]oxy}-N~1~-[3-(methylsulfanyl)phenyl]acetamide

C202-3300 Screening compound: 2-{[2-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]oxy}-N~1~-[3-(methylsulfanyl)phenyl]acetamide
C202-3300 Screening compound: 2-{[2-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]oxy}-N~1~-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3300
2-{[2-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]oxy}-N~1~-[3-(methylsulfanyl)phenyl]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

C202-3300

Molecular Formula

C26H25N3O3S2 (C26 H25 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1nc(OCC(Nc2cc(SC)ccc2)=O)c(c(CCCC2)c2s2)c2n1

InChI

InChI=1S/C26H25N3O3S2/c1-31-18-12-10-16(11-13-18)24-28-25(23-20-8-3-4-9-21(20)34-26(23)29-24)32-15-22(30)27-17-6-5-7-19(14-17)33-2/h5-7,10-14H,3-4,8-9,15H2,1-2H3,(H,27,30)

InChI Key

DODIMRCXXXHXOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.074

Distribution Coefficient, logD

7.074

Water Solubility, LogSw

-5.91

Polar Surface Area

58.242

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C202-3300 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C202-3300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3300?
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What is the minimum amount of C202-3300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3300
  • 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 C202-3300 available by request