C508-0402 Screening compound: (6E)-2-(benzylsulfanyl)-6-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C508-0402 Screening compound: (6E)-2-(benzylsulfanyl)-6-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C508-0402 Screening compound: (6E)-2-(benzylsulfanyl)-6-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C508-0402
(6E)-2-(benzylsulfanyl)-6-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-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

C508-0402

Molecular Formula

C25H19N5O5S2 (C25 H19 N5 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)cc([N+]([O-])=O)c1-c1ccc(/C=C(\C(N2N=C(SCc3ccccc3)SC2=N2)=N)/C2=O)o1

InChI

InChI=1S/C25H19N5O5S2/c1-2-34-16-8-10-18(20(13-16)30(32)33)21-11-9-17(35-21)12-19-22(26)29-24(27-23(19)31)37-25(28-29)36-14-15-6-4-3-5-7-15/h3-13,26H,2,14H2,1H3

InChI Key

IQANUYULVHQPJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.59

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.318

Distribution Coefficient, logD

4.715

Water Solubility, LogSw

-5.34

Polar Surface Area

102.941

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with C508-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0402?
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What is the minimum amount of C508-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0402
  • 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 C508-0402 available by request