C355-0842 Screening compound: (6Z)-6-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(ethanesulfonyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-0842 Screening compound: (6Z)-6-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(ethanesulfonyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-0842 Screening compound: (6Z)-6-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(ethanesulfonyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-0842
(6Z)-6-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(ethanesulfonyl)-5-imino-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

C355-0842

Molecular Formula

C22H23N5O3S2 (C22 H23 N5 O3 S2)

Compound Name

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

IUPAC name

(6Z)-6-{[1-(34-dimethylphenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(ethanesulfonyl)-5-imino-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CCS(C(N1C(/C2=C/c(cc3C)c(C)n3-c3cc(C)c(C)cc3)=N)=NSC1=NC2=O)(=O)=O

InChI

InChI=1S/C22H23N5O3S2/c1-6-32(29,30)22-25-31-21-24-20(28)18(19(23)27(21)22)11-16-10-14(4)26(15(16)5)17-8-7-12(2)13(3)9-17/h7-11,23H,6H2,1-5H3

InChI Key

GOKNEEOLUYWKNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.043

Distribution Coefficient, logD

3.041

Water Solubility, LogSw

-3.31

Polar Surface Area

82.972

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with C355-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0842?
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What is the minimum amount of C355-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0842
  • 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 C355-0842 available by request