C508-0392 Screening compound: (6E)-5-imino-6-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-2-[(2-methylphenoxy)methyl]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C508-0392 Screening compound: (6E)-5-imino-6-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-2-[(2-methylphenoxy)methyl]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C508-0392 Screening compound: (6E)-5-imino-6-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-2-[(2-methylphenoxy)methyl]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C508-0392
(6E)-5-imino-6-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-2-[(2-methylphenoxy)methyl]-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

C508-0392

Molecular Formula

C25H19N5O5S (C25 H19 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc([N+]([O-])=O)c1)c1-c1ccc(/C=C(\C(N2N=C(COc3c(C)cccc3)SC2=N2)=N)/C2=O)o1

InChI

InChI=1S/C25H19N5O5S/c1-14-7-8-16(30(32)33)11-18(14)21-10-9-17(35-21)12-19-23(26)29-25(27-24(19)31)36-22(28-29)13-34-20-6-4-3-5-15(20)2/h3-12,26H,13H2,1-2H3

InChI Key

KEXLNPYJDQRJPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.049

Distribution Coefficient, logD

3.717

Water Solubility, LogSw

-4.80

Polar Surface Area

103.188

Acid Dissociation Constant (pKa)

24.73

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C508-0392 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 C508-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0392?
Check Price and Availability of C508-0392, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C508-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0392
  • 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 C508-0392 available by request