C508-0711 Screening compound: (6E)-5-imino-2-methanesulfonyl-6-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C508-0711 Screening compound: (6E)-5-imino-2-methanesulfonyl-6-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C508-0711 Screening compound: (6E)-5-imino-2-methanesulfonyl-6-{[5-(4-methoxy-2-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 C508-0711
(6E)-5-imino-2-methanesulfonyl-6-{[5-(4-methoxy-2-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

C508-0711

Molecular Formula

C18H13N5O7S2 (C18 H13 N5 O7 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc([N+]([O-])=O)c1-c1ccc(/C=C(\C(N(C(S2)=N3)N=C2S(C)(=O)=O)=N)/C3=O)o1

InChI

InChI=1S/C18H13N5O7S2/c1-29-9-3-5-11(13(8-9)23(25)26)14-6-4-10(30-14)7-12-15(19)22-17(20-16(12)24)31-18(21-22)32(2,27)28/h3-8,19H,1-2H3

InChI Key

NTSQGPOJDIHSSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.46

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.042

Distribution Coefficient, logD

1.878

Water Solubility, LogSw

-3.01

Polar Surface Area

132.745

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C508-0711 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 C508-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0711?
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What is the minimum amount of C508-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0711
  • 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 C508-0711 available by request