C356-1218 Screening compound: (6E)-6-[(4-bromophenyl)methylidene]-5-imino-2-(2-methylpropanesulfonyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C356-1218 Screening compound: (6E)-6-[(4-bromophenyl)methylidene]-5-imino-2-(2-methylpropanesulfonyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C356-1218 Screening compound: (6E)-6-[(4-bromophenyl)methylidene]-5-imino-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 C356-1218
(6E)-6-[(4-bromophenyl)methylidene]-5-imino-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

C356-1218

Molecular Formula

C16H15BrN4O3S2 (C16 H15 BrN4 O3 S2)

Compound Name

(6E)-6-[(4-bromophenyl)methylidene]-5-imino-2-(2-methylpropanesulfonyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6E)-6-[(4-bromophenyl)methylidene]-5-imino-2-(2-methylpropanesulfonyl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CC(C)CS(C(SC1=NC(/C2=C/c(cc3)ccc3Br)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C16H15BrN4O3S2/c1-9(2)8-26(23,24)16-20-21-13(18)12(14(22)19-15(21)25-16)7-10-3-5-11(17)6-4-10/h3-7,9,18H,8H2,1-2H3

InChI Key

GGMNPNZNRPPCHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.407

Distribution Coefficient, logD

3.313

Water Solubility, LogSw

-3.75

Polar Surface Area

83.839

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C356-1218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-1218?
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What is the minimum amount of C356-1218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-1218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-1218
  • 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 C356-1218 available by request