C508-0100 Screening compound: (5Z)-1-(4-bromophenyl)-5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

C508-0100 Screening compound: (5Z)-1-(4-bromophenyl)-5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
C508-0100 Screening compound: (5Z)-1-(4-bromophenyl)-5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C508-0100
(5Z)-1-(4-bromophenyl)-5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

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

C508-0100

Molecular Formula

C21H19BrN2O4S (C21 H19 BrN2 O4 S)

Compound Name

(5Z)-1-(4-bromophenyl)-5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-1-(4-bromophenyl)-5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-13-diazinane-246-trione

SMILES

O=C(/C(/C(N1c(cc2)ccc2Br)=O)=C/c(o2)ccc2SC2CCCCC2)NC1=O

InChI

InChI=1S/C21H19BrN2O4S/c22-13-6-8-14(9-7-13)24-20(26)17(19(25)23-21(24)27)12-15-10-11-18(28-15)29-16-4-2-1-3-5-16/h6-12,16H,1-5H2,(H,23,25,27)

InChI Key

KFSCOAHUZKKVAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.404

Distribution Coefficient, logD

5.091

Water Solubility, LogSw

-5.53

Polar Surface Area

61.373

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C508-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0100?
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What is the minimum amount of C508-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0100
  • 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 C508-0100 available by request