3269-0481 Screening compound: (5E)-5-{[4-(benzyloxy)-2-bromo-5-ethoxyphenyl]methylidene}-1-(4-tert-butylphenyl)-1,3-diazinane-2,4,6-trione

3269-0481 Screening compound: (5E)-5-{[4-(benzyloxy)-2-bromo-5-ethoxyphenyl]methylidene}-1-(4-tert-butylphenyl)-1,3-diazinane-2,4,6-trione
3269-0481 Screening compound: (5E)-5-{[4-(benzyloxy)-2-bromo-5-ethoxyphenyl]methylidene}-1-(4-tert-butylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3269-0481
(5E)-5-{[4-(benzyloxy)-2-bromo-5-ethoxyphenyl]methylidene}-1-(4-tert-butylphenyl)-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

3269-0481

Molecular Formula

C30H29BrN2O5 (C30 H29 BrN2 O5)

Compound Name

(5E)-5-{[4-(benzyloxy)-2-bromo-5-ethoxyphenyl]methylidene}-1-(4-tert-butylphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-5-{[4-(benzyloxy)-2-bromo-5-ethoxyphenyl]methylidene}-1-(4-tert-butylphenyl)-13-diazinane-246-trione

SMILES

CCOc(c(OCc1ccccc1)c1)cc(/C=C(\C(NC(N2c3ccc(C(C)(C)C)cc3)=O)=O)/C2=O)c1Br

InChI

InChI=1S/C30H29BrN2O5/c1-5-37-25-16-20(24(31)17-26(25)38-18-19-9-7-6-8-10-19)15-23-27(34)32-29(36)33(28(23)35)22-13-11-21(12-14-22)30(2,3)4/h6-17H,5,18H2,1-4H3,(H,32,34,36)

InChI Key

PRLKLKSSMRVYJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02045183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.619

Distribution Coefficient, logD

4.629

Water Solubility, LogSw

-5.48

Polar Surface Area

67.915

Acid Dissociation Constant (pKa)

6.46

Base Dissociation Constant (pKb)

-7.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with 3269-0481 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3269-0481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3269-0481
  • 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 3269-0481 available by request