C200-9183 Screening compound: 3-(4-ethylbenzyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

C200-9183 Screening compound: 3-(4-ethylbenzyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
C200-9183 Screening compound: 3-(4-ethylbenzyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9183
3-(4-ethylbenzyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

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

C200-9183

Molecular Formula

C26H20F3N3OS2 (C26 H20 F3 N3 OS2)

Compound Name

3-(4-ethylbenzyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

5-[(4-ethylphenyl)methyl]-4-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

CCc1ccc(CN(C2=O)C(SCc3cc(C(F)(F)F)ccc3)=Nc3c2sc2ncccc23)cc1

InChI

InChI=1S/C26H20F3N3OS2/c1-2-16-8-10-17(11-9-16)14-32-24(33)22-21(20-7-4-12-30-23(20)35-22)31-25(32)34-15-18-5-3-6-19(13-18)26(27,28)29/h3-13H,2,14-15H2,1H3

InChI Key

MUIQRUKDABPNPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.942

Distribution Coefficient, logD

6.941

Water Solubility, LogSw

-5.94

Polar Surface Area

33.671

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with C200-9183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9183?
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What is the minimum amount of C200-9183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9183
  • 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 C200-9183 available by request