3703-0579 Screening compound: (5E)-1-(4-methoxyphenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

3703-0579 Screening compound: (5E)-1-(4-methoxyphenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
3703-0579 Screening compound: (5E)-1-(4-methoxyphenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3703-0579
(5E)-1-(4-methoxyphenyl)-5-[(1-phenyl-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

3703-0579

Molecular Formula

C22H17N3O4 (C22 H17 N3 O4)

Compound Name

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

IUPAC name

(5E)-1-(4-methoxyphenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-13-diazinane-246-trione

SMILES

COc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c2cccn2-c2ccccc2)=O)C1=O

InChI

InChI=1S/C22H17N3O4/c1-29-18-11-9-16(10-12-18)25-21(27)19(20(26)23-22(25)28)14-17-8-5-13-24(17)15-6-3-2-4-7-15/h2-14H,1H3,(H,23,26,28)

InChI Key

YLOKOPMBIMXSOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02637799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.39

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

3.059

Distribution Coefficient, logD

2.800

Water Solubility, LogSw

-3.61

Polar Surface Area

63.464

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

3703-0579 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3703-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3703-0579?
Check Price and Availability of 3703-0579, 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 3703-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3703-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3703-0579
  • 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 3703-0579 available by request