1317-0333 Screening compound: (5Z)-1-(4-bromophenyl)-5-{[4-(octyloxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

1317-0333 Screening compound: (5Z)-1-(4-bromophenyl)-5-{[4-(octyloxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
1317-0333 Screening compound: (5Z)-1-(4-bromophenyl)-5-{[4-(octyloxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1317-0333
(5Z)-1-(4-bromophenyl)-5-{[4-(octyloxy)phenyl]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

1317-0333

Molecular Formula

C25H27BrN2O4 (C25 H27 BrN2 O4)

Compound Name

(5Z)-1-(4-bromophenyl)-5-{[4-(octyloxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-1-(4-bromophenyl)-5-{[4-(octyloxy)phenyl]methylidene}-13-diazinane-246-trione

SMILES

CCCCCCCCOc1ccc(/C=C(/C(NC(N2c(cc3)ccc3Br)=O)=O)\C2=O)cc1

InChI

InChI=1S/C25H27BrN2O4/c1-2-3-4-5-6-7-16-32-21-14-8-18(9-15-21)17-22-23(29)27-25(31)28(24(22)30)20-12-10-19(26)11-13-20/h8-15,17H,2-7,16H2,1H3,(H,27,29,31)

InChI Key

VMPOJWXUMCCMAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00576196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.694

Distribution Coefficient, logD

6.390

Water Solubility, LogSw

-5.68

Polar Surface Area

60.808

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

1317-0333 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 1317-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1317-0333?
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What is the minimum amount of 1317-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1317-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1317-0333
  • 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 1317-0333 available by request