C508-0348 Screening compound: (6E)-6-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-(furan-2-yl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C508-0348 Screening compound: (6E)-6-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-(furan-2-yl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C508-0348 Screening compound: (6E)-6-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-(furan-2-yl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C508-0348
(6E)-6-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-(furan-2-yl)-5-imino-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

C508-0348

Molecular Formula

C22H15N5O6S (C22 H15 N5 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)cc([N+]([O-])=O)c1-c1ccc(/C=C(\C(N2N=C(c3ccco3)SC2=N2)=N)/C2=O)o1

InChI

InChI=1S/C22H15N5O6S/c1-2-31-12-5-7-14(16(11-12)27(29)30)17-8-6-13(33-17)10-15-19(23)26-22(24-20(15)28)34-21(25-26)18-4-3-9-32-18/h3-11,23H,2H2,1H3

InChI Key

VHCSLFQZCAUTJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.46

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.691

Distribution Coefficient, logD

2.815

Water Solubility, LogSw

-4.07

Polar Surface Area

111.100

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

C508-0348 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 C508-0348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0348?
Check Price and Availability of C508-0348, 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 C508-0348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0348
  • 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 C508-0348 available by request