C508-0239 Screening compound: (6E)-5-imino-2-methyl-6-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C508-0239 Screening compound: (6E)-5-imino-2-methyl-6-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C508-0239 Screening compound: (6E)-5-imino-2-methyl-6-{[5-(2-methyl-5-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 C508-0239
(6E)-5-imino-2-methyl-6-{[5-(2-methyl-5-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

C508-0239

Molecular Formula

C18H13N5O4S (C18 H13 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(SC1=NC(/C2=C/c3ccc(-c4c(C)ccc([N+]([O-])=O)c4)o3)=O)=NN1C2=N

InChI

InChI=1S/C18H13N5O4S/c1-9-3-4-11(23(25)26)7-13(9)15-6-5-12(27-15)8-14-16(19)22-18(20-17(14)24)28-10(2)21-22/h3-8,19H,1-2H3

InChI Key

JAWBOZZNWIUXEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.370

Distribution Coefficient, logD

1.919

Water Solubility, LogSw

-3.68

Polar Surface Area

95.143

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with C508-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0239?
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What is the minimum amount of C508-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0239
  • 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 C508-0239 available by request