2817-0151 Screening compound: 2-(2-bromo-4-{[(5E)-1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid

2817-0151 Screening compound: 2-(2-bromo-4-{[(5E)-1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
2817-0151 Screening compound: 2-(2-bromo-4-{[(5E)-1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2817-0151
2-(2-bromo-4-{[(5E)-1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid

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

2817-0151

Molecular Formula

C21H17BrN2O6 (C21 H17 BrN2 O6)

Compound Name

2-(2-bromo-4-{[(5E)-1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid

IUPAC name

2-(2-bromo-4-{[(5E)-1-(4-ethylphenyl)-246-trioxo-13-diazinan-5-ylidene]methyl}phenoxy)acetic acid

SMILES

CCc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2)cc(Br)c2OCC(O)=O)=O)C1=O

InChI

InChI=1S/C21H17BrN2O6/c1-2-12-3-6-14(7-4-12)24-20(28)15(19(27)23-21(24)29)9-13-5-8-17(16(22)10-13)30-11-18(25)26/h3-10H,2,11H2,1H3,(H,25,26)(H,23,27,29)

InChI Key

HGNDEUJASSLWOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.28

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.112

Distribution Coefficient, logD

-1.125

Water Solubility, LogSw

-3.28

Polar Surface Area

89.360

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 2817-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2817-0151?
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What is the minimum amount of 2817-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2817-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2817-0151
  • 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 2817-0151 available by request