2817-0149 Screening compound: 2-(2-bromo-4-{[(5E)-2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid

2817-0149 Screening compound: 2-(2-bromo-4-{[(5E)-2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
2817-0149 Screening compound: 2-(2-bromo-4-{[(5E)-2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2817-0149
2-(2-bromo-4-{[(5E)-2,4,6-trioxo-1-phenyl-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

2817-0149

Molecular Formula

C19H13BrN2O6 (C19 H13 BrN2 O6)

Compound Name

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

IUPAC name

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

SMILES

OC(COc(ccc(/C=C(\C(NC(N1c2ccccc2)=O)=O)/C1=O)c1)c1Br)=O

InChI

InChI=1S/C19H13BrN2O6/c20-14-9-11(6-7-15(14)28-10-16(23)24)8-13-17(25)21-19(27)22(18(13)26)12-4-2-1-3-5-12/h1-9H,10H2,(H,23,24)(H,21,25,27)

InChI Key

YMVYXJLYTZQKBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.23

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.060

Distribution Coefficient, logD

-2.177

Water Solubility, LogSw

-2.82

Polar Surface Area

89.360

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with 2817-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2817-0149?
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What is the minimum amount of 2817-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2817-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2817-0149
  • 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 2817-0149 available by request