4489-8254 Screening compound: (5E)-1-(4-chlorophenyl)-5-{[4-(diethylamino)-2-methoxyphenyl]methylidene}-1,3-diazinane-2,4,6-trione

4489-8254 Screening compound: (5E)-1-(4-chlorophenyl)-5-{[4-(diethylamino)-2-methoxyphenyl]methylidene}-1,3-diazinane-2,4,6-trione
4489-8254 Screening compound: (5E)-1-(4-chlorophenyl)-5-{[4-(diethylamino)-2-methoxyphenyl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-8254
(5E)-1-(4-chlorophenyl)-5-{[4-(diethylamino)-2-methoxyphenyl]methylidene}-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

4489-8254

Molecular Formula

C22H22ClN3O4 (C22 H22 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c1cc(OC)c(/C=C(\C(NC(N2c(cc3)ccc3Cl)=O)=O)/C2=O)cc1

InChI

InChI=1S/C22H22ClN3O4/c1-4-25(5-2)17-9-6-14(19(13-17)30-3)12-18-20(27)24-22(29)26(21(18)28)16-10-7-15(23)8-11-16/h6-13H,4-5H2,1-3H3,(H,24,27,29)

InChI Key

RIKZNSVYMMYTKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01610402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.865

Distribution Coefficient, logD

3.687

Water Solubility, LogSw

-4.42

Polar Surface Area

63.757

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 4489-8254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-8254?
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What is the minimum amount of 4489-8254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-8254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-8254
  • 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 4489-8254 available by request