C356-0139 Screening compound: (6E)-5-imino-2-methanesulfonyl-6-({1-[(4-methylphenyl)methyl]-1H-indol-3-yl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C356-0139 Screening compound: (6E)-5-imino-2-methanesulfonyl-6-({1-[(4-methylphenyl)methyl]-1H-indol-3-yl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C356-0139 Screening compound: (6E)-5-imino-2-methanesulfonyl-6-({1-[(4-methylphenyl)methyl]-1H-indol-3-yl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0139
(6E)-5-imino-2-methanesulfonyl-6-({1-[(4-methylphenyl)methyl]-1H-indol-3-yl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-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

C356-0139

Molecular Formula

C23H19N5O3S2 (C23 H19 N5 O3 S2)

Compound Name

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

IUPAC name

(6E)-5-imino-2-methanesulfonyl-6-({1-[(4-methylphenyl)methyl]-1H-indol-3-yl}methylidene)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

Cc1ccc(Cn2c(cccc3)c3c(/C=C(\C(N(C(S3)=N4)N=C3S(C)(=O)=O)=N)/C4=O)c2)cc1

InChI

InChI=1S/C23H19N5O3S2/c1-14-7-9-15(10-8-14)12-27-13-16(17-5-3-4-6-19(17)27)11-18-20(24)28-22(25-21(18)29)32-23(26-28)33(2,30)31/h3-11,13,24H,12H2,1-2H3

InChI Key

WYLFYZIBOAXVDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.57

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

2.872

Distribution Coefficient, logD

2.778

Water Solubility, LogSw

-3.25

Polar Surface Area

86.283

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with C356-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0139?
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What is the minimum amount of C356-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0139
  • 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 C356-0139 available by request