C146-1565 Screening compound: (6Z)-3-(ethylsulfanyl)-5-imino-6-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C146-1565 Screening compound: (6Z)-3-(ethylsulfanyl)-5-imino-6-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C146-1565 Screening compound: (6Z)-3-(ethylsulfanyl)-5-imino-6-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C146-1565
(6Z)-3-(ethylsulfanyl)-5-imino-6-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-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

C146-1565

Molecular Formula

C21H21N5O2S2 (C21 H21 N5 O2 S2)

Compound Name

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

IUPAC name

(6Z)-3-(ethylsulfanyl)-5-imino-6-{[1-(4-methoxyphenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CCSC(N1C(/C2=C/c(cc3C)c(C)n3-c(cc3)ccc3OC)=N)=NSC1=NC2=O

InChI

InChI=1S/C21H21N5O2S2/c1-5-29-21-24-30-20-23-19(27)17(18(22)26(20)21)11-14-10-12(2)25(13(14)3)15-6-8-16(28-4)9-7-15/h6-11,22H,5H2,1-4H3

InChI Key

QSFUEAGTOPHCNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.349

Distribution Coefficient, logD

3.311

Water Solubility, LogSw

-3.54

Polar Surface Area

62.676

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C146-1565 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C146-1565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C146-1565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C146-1565
  • 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 C146-1565 available by request