3657-2218 Screening compound: (5E)-1-(2,3-dichlorophenyl)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

3657-2218 Screening compound: (5E)-1-(2,3-dichlorophenyl)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
3657-2218 Screening compound: (5E)-1-(2,3-dichlorophenyl)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3657-2218
(5E)-1-(2,3-dichlorophenyl)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]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

3657-2218

Molecular Formula

C22H15Cl2N3O4 (C22 H15 Cl2 N3 O4)

Compound Name

(5E)-1-(2,3-dichlorophenyl)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-(23-dichlorophenyl)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-13-diazinane-246-trione

SMILES

COc(cc1)ccc1-n1c(/C=C(\C(NC(N2c3cccc(Cl)c3Cl)=O)=O)/C2=O)ccc1

InChI

InChI=1S/C22H15Cl2N3O4/c1-31-15-9-7-13(8-10-15)26-11-3-4-14(26)12-16-20(28)25-22(30)27(21(16)29)18-6-2-5-17(23)19(18)24/h2-12H,1H3,(H,25,28,30)

InChI Key

UOWNIPBTIKTRAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.476

Distribution Coefficient, logD

2.719

Water Solubility, LogSw

-4.49

Polar Surface Area

63.163

Acid Dissociation Constant (pKa)

5.65

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

3657-2218 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3657-2218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3657-2218?
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What is the minimum amount of 3657-2218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3657-2218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3657-2218
  • 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 3657-2218 available by request