C508-0776 Screening compound: (6Z)-3-(4-fluorophenyl)-5-imino-6-{[5-(naphthalen-1-ylsulfanyl)furan-2-yl]methylidene}-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

C508-0776 Screening compound: (6Z)-3-(4-fluorophenyl)-5-imino-6-{[5-(naphthalen-1-ylsulfanyl)furan-2-yl]methylidene}-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
C508-0776 Screening compound: (6Z)-3-(4-fluorophenyl)-5-imino-6-{[5-(naphthalen-1-ylsulfanyl)furan-2-yl]methylidene}-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C508-0776
(6Z)-3-(4-fluorophenyl)-5-imino-6-{[5-(naphthalen-1-ylsulfanyl)furan-2-yl]methylidene}-5H,6H,7H-[1,3]thiazolo[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

C508-0776

Molecular Formula

C27H16FN3O2S2 (C27 H16 FN3 O2 S2)

Compound Name

(6Z)-3-(4-fluorophenyl)-5-imino-6-{[5-(naphthalen-1-ylsulfanyl)furan-2-yl]methylidene}-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-3-(4-fluorophenyl)-5-imino-6-{[5-(naphthalen-1-ylsulfanyl)furan-2-yl]methylidene}-5H6H7H-[13]thiazolo[32-a]pyrimidin-7-one

SMILES

N=C(/C1=C/c(o2)ccc2Sc2cccc3ccccc23)N(C(c(cc2)ccc2F)=CS2)C2=NC1=O

InChI

InChI=1S/C27H16FN3O2S2/c28-18-10-8-17(9-11-18)22-15-34-27-30-26(32)21(25(29)31(22)27)14-19-12-13-24(33-19)35-23-7-3-5-16-4-1-2-6-20(16)23/h1-15,29H

InChI Key

QKVDKVZHLKRVIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.986

Distribution Coefficient, logD

5.979

Water Solubility, LogSw

-7.15

Polar Surface Area

49.991

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with C508-0776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0776?
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What is the minimum amount of C508-0776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0776
  • 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 C508-0776 available by request