C200-8940 Screening compound: 2-[({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

C200-8940 Screening compound: 2-[({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
C200-8940 Screening compound: 2-[({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8940
2-[({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-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

C200-8940

Molecular Formula

C22H17N5O2S2 (C22 H17 N5 O2 S2)

Compound Name

2-[({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

IUPAC name

2-[({3-[4-(methylsulfanyl)phenyl]-124-oxadiazol-5-yl}methyl)sulfanyl]-7-phenyl-3H4H5H-pyrrolo[32-d]pyrimidin-4-one

SMILES

CSc(cc1)ccc1-c1noc(CSC(NC2=O)=Nc3c2[nH]cc3-c2ccccc2)n1

InChI

InChI=1S/C22H17N5O2S2/c1-30-15-9-7-14(8-10-15)20-24-17(29-27-20)12-31-22-25-18-16(13-5-3-2-4-6-13)11-23-19(18)21(28)26-22/h2-11,23H,12H2,1H3,(H,25,26,28)

InChI Key

QRSXEEYFOAXTFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.206

Distribution Coefficient, logD

5.204

Water Solubility, LogSw

-5.11

Polar Surface Area

74.337

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with C200-8940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8940?
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What is the minimum amount of C200-8940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8940
  • 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 C200-8940 available by request