3703-0046 Screening compound: (5E)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

3703-0046 Screening compound: (5E)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
3703-0046 Screening compound: (5E)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3703-0046
(5E)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(3-methylphenyl)-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

3703-0046

Molecular Formula

C22H16ClN3O3 (C22 H16 ClN3 O3)

Compound Name

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

IUPAC name

(5E)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-1-(3-methylphenyl)-13-diazinane-246-trione

SMILES

Cc1cccc(N(C(/C(/C(N2)=O)=C/c3cccn3-c(cc3)ccc3Cl)=O)C2=O)c1

InChI

InChI=1S/C22H16ClN3O3/c1-14-4-2-5-18(12-14)26-21(28)19(20(27)24-22(26)29)13-17-6-3-11-25(17)16-9-7-15(23)8-10-16/h2-13H,1H3,(H,24,27,29)

InChI Key

VDVWQNLDOXFXFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02917806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.292

Distribution Coefficient, logD

4.229

Water Solubility, LogSw

-4.67

Polar Surface Area

55.920

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

3703-0046 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3703-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3703-0046?
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What is the minimum amount of 3703-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3703-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3703-0046
  • 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 3703-0046 available by request