C370-5131 Screening compound: (6Z)-3-(ethylsulfanyl)-5-imino-6-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C370-5131 Screening compound: (6Z)-3-(ethylsulfanyl)-5-imino-6-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C370-5131 Screening compound: (6Z)-3-(ethylsulfanyl)-5-imino-6-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C370-5131
(6Z)-3-(ethylsulfanyl)-5-imino-6-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-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

C370-5131

Molecular Formula

C18H15N5OS2 (C18 H15 N5 OS2)

Compound Name

(6Z)-3-(ethylsulfanyl)-5-imino-6-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

IUPAC name

(6Z)-3-(ethylsulfanyl)-5-imino-6-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CCSC(N1C(/C2=C/c3cccn3-c3ccccc3)=N)=NSC1=NC2=O

InChI

InChI=1S/C18H15N5OS2/c1-2-25-18-21-26-17-20-16(24)14(15(19)23(17)18)11-13-9-6-10-22(13)12-7-4-3-5-8-12/h3-11,19H,2H2,1H3

InChI Key

IXFVDTWGPBGAAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.311

Distribution Coefficient, logD

3.301

Water Solubility, LogSw

-3.55

Polar Surface Area

54.997

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C370-5131 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C370-5131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C370-5131?
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What is the minimum amount of C370-5131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C370-5131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C370-5131
  • 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 C370-5131 available by request