C356-1384 Screening compound: (6E)-5-imino-6-{[1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(2-methylpropanesulfonyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C356-1384 Screening compound: (6E)-5-imino-6-{[1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(2-methylpropanesulfonyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C356-1384 Screening compound: (6E)-5-imino-6-{[1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(2-methylpropanesulfonyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-1384
(6E)-5-imino-6-{[1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(2-methylpropanesulfonyl)-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

C356-1384

Molecular Formula

C23H25N5O4S2 (C23 H25 N5 O4 S2)

Compound Name

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

IUPAC name

(6E)-5-imino-6-{[1-(3-methoxyphenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(2-methylpropanesulfonyl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CC(C)CS(C(SC1=NC(/C2=C/c(cc3C)c(C)n3-c3cc(OC)ccc3)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C23H25N5O4S2/c1-13(2)12-34(30,31)23-26-28-20(24)19(21(29)25-22(28)33-23)10-16-9-14(3)27(15(16)4)17-7-6-8-18(11-17)32-5/h6-11,13,24H,12H2,1-5H3

InChI Key

YAKMPESRWROVJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.61

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

3.450

Distribution Coefficient, logD

3.303

Water Solubility, LogSw

-3.83

Polar Surface Area

94.047

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C356-1384 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 C356-1384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-1384?
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What is the minimum amount of C356-1384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-1384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-1384
  • 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 C356-1384 available by request