2897-0355 Screening compound: 4-[(2,6-dichloro-4-{[(5E)-2,4,6-trioxo-1-[4-(propan-2-yl)phenyl]-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid

2897-0355 Screening compound: 4-[(2,6-dichloro-4-{[(5E)-2,4,6-trioxo-1-[4-(propan-2-yl)phenyl]-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
2897-0355 Screening compound: 4-[(2,6-dichloro-4-{[(5E)-2,4,6-trioxo-1-[4-(propan-2-yl)phenyl]-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2897-0355
4-[(2,6-dichloro-4-{[(5E)-2,4,6-trioxo-1-[4-(propan-2-yl)phenyl]-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic 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

2897-0355

Molecular Formula

C28H22Cl2N2O6 (C28 H22 Cl2 N2 O6)

Compound Name

4-[(2,6-dichloro-4-{[(5E)-2,4,6-trioxo-1-[4-(propan-2-yl)phenyl]-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid

IUPAC name

4-[(26-dichloro-4-{[(5E)-246-trioxo-1-[4-(propan-2-yl)phenyl]-13-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid

SMILES

CC(C)c(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2Cl)cc(Cl)c2OCc(cc2)ccc2C(O)=O)=O)C1=O

InChI

InChI=1S/C28H22Cl2N2O6/c1-15(2)18-7-9-20(10-8-18)32-26(34)21(25(33)31-28(32)37)11-17-12-22(29)24(23(30)13-17)38-14-16-3-5-19(6-4-16)27(35)36/h3-13,15H,14H2,1-2H3,(H,35,36)(H,31,33,37)

InChI Key

QLVAWZUKHUHILS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.690

Distribution Coefficient, logD

3.719

Water Solubility, LogSw

-5.98

Polar Surface Area

89.200

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-6.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 2897-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2897-0355?
Check Price and Availability of 2897-0355, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2897-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2897-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2897-0355
  • 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 2897-0355 available by request