C508-0072 Screening compound: (5Z)-5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione

C508-0072 Screening compound: (5Z)-5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
C508-0072 Screening compound: (5Z)-5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C508-0072
(5Z)-5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1-(4-methoxyphenyl)-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

C508-0072

Molecular Formula

C23H17N3O8 (C23 H17 N3 O8)

Compound Name

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

IUPAC name

(5Z)-5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1-(4-methoxyphenyl)-13-diazinane-246-trione

SMILES

COc(cc1)ccc1N(C(/C(/C(N1)=O)=C\c2ccc(-c(ccc(OC)c3)c3[N+]([O-])=O)o2)=O)C1=O

InChI

InChI=1S/C23H17N3O8/c1-32-14-5-3-13(4-6-14)25-22(28)18(21(27)24-23(25)29)11-16-8-10-20(34-16)17-9-7-15(33-2)12-19(17)26(30)31/h3-12H,1-2H3,(H,24,27,29)

InChI Key

XNOUEKKJXPPLFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02212853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.4

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.475

Distribution Coefficient, logD

3.163

Water Solubility, LogSw

-4.01

Polar Surface Area

109.129

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with C508-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0072?
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What is the minimum amount of C508-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0072
  • 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 C508-0072 available by request