3288-0507 Screening compound: (5E)-5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione

3288-0507 Screening compound: (5E)-5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
3288-0507 Screening compound: (5E)-5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3288-0507
(5E)-5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(4-fluorophenyl)-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

3288-0507

Molecular Formula

C25H23FN4O3 (C25 H23 FN4 O3)

Compound Name

(5E)-5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-5-({1-[4-(dimethylamino)phenyl]-25-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(4-fluorophenyl)-13-diazinane-246-trione

SMILES

Cc1cc(/C=C(\C(NC(N2c(cc3)ccc3F)=O)=O)/C2=O)c(C)n1-c(cc1)ccc1N(C)C

InChI

InChI=1S/C25H23FN4O3/c1-15-13-17(16(2)29(15)20-11-9-19(10-12-20)28(3)4)14-22-23(31)27-25(33)30(24(22)32)21-7-5-18(26)6-8-21/h5-14H,1-4H3,(H,27,31,33)

InChI Key

HYXPAUWATJGMRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02045158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.252

Distribution Coefficient, logD

3.169

Water Solubility, LogSw

-3.41

Polar Surface Area

58.860

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

3288-0507 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3288-0507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3288-0507?
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What is the minimum amount of 3288-0507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3288-0507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3288-0507
  • 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 3288-0507 available by request