C355-0142 Screening compound: (6Z)-6-({1-[2-(2,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-0142 Screening compound: (6Z)-6-({1-[2-(2,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-0142 Screening compound: (6Z)-6-({1-[2-(2,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-0142
(6Z)-6-({1-[2-(2,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5-imino-3-methanesulfonyl-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

C355-0142

Molecular Formula

C25H23N5O4S2 (C25 H23 N5 O4 S2)

Compound Name

(6Z)-6-({1-[2-(2,4-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

IUPAC name

(6Z)-6-({1-[2-(24-dimethylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5-imino-3-methanesulfonyl-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

Cc(cc1)cc(C)c1OCCn1c(cccc2)c2c(/C=C(/C(N(C(S(C)(=O)=O)=NS2)C2=N2)=N)\C2=O)c1

InChI

InChI=1S/C25H23N5O4S2/c1-15-8-9-21(16(2)12-15)34-11-10-29-14-17(18-6-4-5-7-20(18)29)13-19-22(26)30-24(27-23(19)31)35-28-25(30)36(3,32)33/h4-9,12-14,26H,10-11H2,1-3H3

InChI Key

PQPZGDXIJWRLLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.325

Distribution Coefficient, logD

3.318

Water Solubility, LogSw

-3.42

Polar Surface Area

90.234

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C355-0142 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C355-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0142?
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What is the minimum amount of C355-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0142
  • 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 C355-0142 available by request