4490-1260 Screening compound: (5Z)-5-{[1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione

4490-1260 Screening compound: (5Z)-5-{[1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
4490-1260 Screening compound: (5Z)-5-{[1-(4-tert-butylphenyl)-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 4490-1260
(5Z)-5-{[1-(4-tert-butylphenyl)-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

4490-1260

Molecular Formula

C27H26FN3O3 (C27 H26 FN3 O3)

Compound Name

(5Z)-5-{[1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-{[1-(4-tert-butylphenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(4-fluorophenyl)-13-diazinane-246-trione

SMILES

CC(C)(C)c(cc1)ccc1-n1c(C)c(/C=C(/C(NC(N2c(cc3)ccc3F)=O)=O)\C2=O)cc1C

InChI

InChI=1S/C27H26FN3O3/c1-16-14-18(17(2)30(16)21-10-6-19(7-11-21)27(3,4)5)15-23-24(32)29-26(34)31(25(23)33)22-12-8-20(28)9-13-22/h6-15H,1-5H3,(H,29,32,34)

InChI Key

JKHUHHXAOOGJBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02194627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.956

Distribution Coefficient, logD

4.876

Water Solubility, LogSw

-4.68

Polar Surface Area

56.056

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 4490-1260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-1260?
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What is the minimum amount of 4490-1260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-1260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-1260
  • 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 4490-1260 available by request