1263-0043 Screening compound: (5Z)-5-[(1-acetyl-1H-indol-3-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione

1263-0043 Screening compound: (5Z)-5-[(1-acetyl-1H-indol-3-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
1263-0043 Screening compound: (5Z)-5-[(1-acetyl-1H-indol-3-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1263-0043
(5Z)-5-[(1-acetyl-1H-indol-3-yl)methylidene]-1-phenyl-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

1263-0043

Molecular Formula

C21H15N3O4 (C21 H15 N3 O4)

Compound Name

(5Z)-5-[(1-acetyl-1H-indol-3-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-[(1-acetyl-1H-indol-3-yl)methylidene]-1-phenyl-13-diazinane-246-trione

SMILES

CC(n1c(cccc2)c2c(/C=C(/C(NC(N2c3ccccc3)=O)=O)\C2=O)c1)=O

InChI

InChI=1S/C21H15N3O4/c1-13(25)23-12-14(16-9-5-6-10-18(16)23)11-17-19(26)22-21(28)24(20(17)27)15-7-3-2-4-8-15/h2-12H,1H3,(H,22,26,28)

InChI Key

UPVIDIQYFZKUNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.37

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

1.817

Distribution Coefficient, logD

1.245

Water Solubility, LogSw

-2.21

Polar Surface Area

69.517

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

-5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

1263-0043 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 1263-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1263-0043?
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What is the minimum amount of 1263-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1263-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1263-0043
  • 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 1263-0043 available by request