2897-1703 Screening compound: (5E)-5-({4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}methylidene)-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione

2897-1703 Screening compound: (5E)-5-({4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}methylidene)-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
2897-1703 Screening compound: (5E)-5-({4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}methylidene)-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2897-1703
(5E)-5-({4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}methylidene)-1-(4-methoxyphenyl)-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

2897-1703

Molecular Formula

C26H20ClIN2O6 (C26 H20 ClIN2 O6)

Compound Name

(5E)-5-({4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}methylidene)-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-5-({4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}methylidene)-1-(4-methoxyphenyl)-13-diazinane-246-trione

SMILES

COc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2OC)cc(I)c2OCc(cccc2)c2Cl)=O)C1=O

InChI

InChI=1S/C26H20ClIN2O6/c1-34-18-9-7-17(8-10-18)30-25(32)19(24(31)29-26(30)33)11-15-12-21(28)23(22(13-15)35-2)36-14-16-5-3-4-6-20(16)27/h3-13H,14H2,1-2H3,(H,29,31,33)

InChI Key

OTCKZMNSNWBYNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

618.81

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.177

Distribution Coefficient, logD

4.874

Water Solubility, LogSw

-5.77

Polar Surface Area

75.966

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

2897-1703 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2897-1703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2897-1703?
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What is the minimum amount of 2897-1703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2897-1703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2897-1703
  • 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 2897-1703 available by request