2897-0417 Screening compound: 2-{2,6-dichloro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid

2897-0417 Screening compound: 2-{2,6-dichloro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid
2897-0417 Screening compound: 2-{2,6-dichloro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2897-0417
2-{2,6-dichloro-4-[(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

2897-0417

Molecular Formula

C13H8Cl2N2O6 (C13 H8 Cl2 N2 O6)

Compound Name

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

IUPAC name

2-{26-dichloro-4-[(246-trioxo-13-diazinan-5-ylidene)methyl]phenoxy}acetic acid

SMILES

OC(COc(c(Cl)cc(C=C(C(NC(N1)=O)=O)C1=O)c1)c1Cl)=O

InChI

InChI=1S/C13H8Cl2N2O6/c14-7-2-5(3-8(15)10(7)23-4-9(18)19)1-6-11(20)16-13(22)17-12(6)21/h1-3H,4H2,(H,18,19)(H2,16,17,20,21,22)

InChI Key

QRGFSCWVSONHQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.12

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.873

Distribution Coefficient, logD

-2.364

Water Solubility, LogSw

-2.88

Polar Surface Area

98.699

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 2897-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2897-0417?
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What is the minimum amount of 2897-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2897-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2897-0417
  • 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 2897-0417 available by request