C508-0432 Screening compound: (6E)-5-imino-6-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-[(2-phenoxyethyl)sulfanyl]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C508-0432 Screening compound: (6E)-5-imino-6-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-[(2-phenoxyethyl)sulfanyl]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C508-0432 Screening compound: (6E)-5-imino-6-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-[(2-phenoxyethyl)sulfanyl]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C508-0432
(6E)-5-imino-6-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-2-[(2-phenoxyethyl)sulfanyl]-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

C508-0432

Molecular Formula

C25H19N5O6S2 (C25 H19 N5 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc([N+]([O-])=O)c1-c1ccc(/C=C(\C(N2N=C(SCCOc3ccccc3)SC2=N2)=N)/C2=O)o1

InChI

InChI=1S/C25H19N5O6S2/c1-34-16-7-9-18(20(14-16)30(32)33)21-10-8-17(36-21)13-19-22(26)29-24(27-23(19)31)38-25(28-29)37-12-11-35-15-5-3-2-4-6-15/h2-10,13-14,26H,11-12H2,1H3

InChI Key

YALPMQHUBLHZLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.59

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.083

Distribution Coefficient, logD

4.481

Water Solubility, LogSw

-4.90

Polar Surface Area

110.779

Acid Dissociation Constant (pKa)

30.92

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 C508-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0432?
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What is the minimum amount of C508-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0432
  • 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 C508-0432 available by request