1317-0380 Screening compound: (5Z)-5-[(FURAN-2-YL)METHYLIDENE]-1-(2-METHOXYPHENYL)-1,3-DIAZINANE-2,4,6-TRIONE

1317-0380 Screening compound: (5Z)-5-[(FURAN-2-YL)METHYLIDENE]-1-(2-METHOXYPHENYL)-1,3-DIAZINANE-2,4,6-TRIONE
1317-0380 Screening compound: (5Z)-5-[(FURAN-2-YL)METHYLIDENE]-1-(2-METHOXYPHENYL)-1,3-DIAZINANE-2,4,6-TRIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 1317-0380
(5Z)-5-[(FURAN-2-YL)METHYLIDENE]-1-(2-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

1317-0380

Molecular Formula

C16H12N2O5 (C16 H12 N2 O5)

Compound Name

(5Z)-5-[(FURAN-2-YL)METHYLIDENE]-1-(2-METHOXYPHENYL)-1,3-DIAZINANE-2,4,6-TRIONE

IUPAC name

n/a

SMILES

COc(cccc1)c1N(C(/C(/C(N1)=O)=C\c2ccco2)=O)C1=O

InChI

InChI=1S/C16H12N2O5/c1-22-13-7-3-2-6-12(13)18-15(20)11(14(19)17-16(18)21)9-10-5-4-8-23-10/h2-9H,1H3,(H,17,19,21)

InChI Key

RBFLGKKYYIXARQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00576230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.385

Distribution Coefficient, logD

1.285

Water Solubility, LogSw

-1.76

Polar Surface Area

68.469

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

-5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1317-0380 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1317-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1317-0380?
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What is the minimum amount of 1317-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1317-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1317-0380
  • 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 1317-0380 available by request