C356-0074 Screening compound: (6E)-5-imino-2-methanesulfonyl-6-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C356-0074 Screening compound: (6E)-5-imino-2-methanesulfonyl-6-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C356-0074 Screening compound: (6E)-5-imino-2-methanesulfonyl-6-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0074
(6E)-5-imino-2-methanesulfonyl-6-{[5-(4-nitrophenyl)furan-2-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

C356-0074

Molecular Formula

C17H11N5O6S2 (C17 H11 N5 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

CS(C(SC1=NC(/C2=C/c3ccc(-c(cc4)ccc4[N+]([O-])=O)o3)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C17H11N5O6S2/c1-30(26,27)17-20-21-14(18)12(15(23)19-16(21)29-17)8-11-6-7-13(28-11)9-2-4-10(5-3-9)22(24)25/h2-8,18H,1H3

InChI Key

QADPLAFNZCWDRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.44

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.053

Distribution Coefficient, logD

1.889

Water Solubility, LogSw

-2.74

Polar Surface Area

125.502

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with C356-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0074?
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What is the minimum amount of C356-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0074
  • 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 C356-0074 available by request