C356-0436 Screening compound: (6E)-5-imino-2-methanesulfonyl-6-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C356-0436 Screening compound: (6E)-5-imino-2-methanesulfonyl-6-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C356-0436 Screening compound: (6E)-5-imino-2-methanesulfonyl-6-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0436
(6E)-5-imino-2-methanesulfonyl-6-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}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

C356-0436

Molecular Formula

C21H17N5O7S2 (C21 H17 N5 O7 S2)

Compound Name

(6E)-5-imino-2-methanesulfonyl-6-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6E)-5-imino-2-methanesulfonyl-6-({3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

COc(cc(/C=C(\C(N(C(S1)=N2)N=C1S(C)(=O)=O)=N)/C2=O)cc1)c1OCc(cccc1)c1[N+]([O-])=O

InChI

InChI=1S/C21H17N5O7S2/c1-32-17-10-12(7-8-16(17)33-11-13-5-3-4-6-15(13)26(28)29)9-14-18(22)25-20(23-19(14)27)34-21(24-25)35(2,30)31/h3-10,22H,11H2,1-2H3

InChI Key

LFIGQACYFPLFQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.53

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.977

Distribution Coefficient, logD

1.882

Water Solubility, LogSw

-2.73

Polar Surface Area

132.576

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with C356-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0436?
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What is the minimum amount of C356-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0436
  • 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 C356-0436 available by request