C202-3297 Screening compound: N~1~-(2-ethoxyphenyl)-2-{[2-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]oxy}acetamide

C202-3297 Screening compound: N~1~-(2-ethoxyphenyl)-2-{[2-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]oxy}acetamide
C202-3297 Screening compound: N~1~-(2-ethoxyphenyl)-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 C202-3297
N~1~-(2-ethoxyphenyl)-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

C202-3297

Molecular Formula

C27H27N3O4S (C27 H27 N3 O4 S)

Compound Name

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

IUPAC name

N-(2-ethoxyphenyl)-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

CCOc(cccc1)c1NC(COc1c(c(CCCC2)c2s2)c2nc(-c(cc2)ccc2OC)n1)=O

InChI

InChI=1S/C27H27N3O4S/c1-3-33-21-10-6-5-9-20(21)28-23(31)16-34-26-24-19-8-4-7-11-22(19)35-27(24)30-25(29-26)17-12-14-18(32-2)15-13-17/h5-6,9-10,12-15H,3-4,7-8,11,16H2,1-2H3,(H,28,31)

InChI Key

JEYIBVXYCNTZBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.788

Distribution Coefficient, logD

6.788

Water Solubility, LogSw

-5.96

Polar Surface Area

64.754

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C202-3297 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 C202-3297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3297?
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What is the minimum amount of C202-3297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3297
  • 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 C202-3297 available by request