4760-0458 Screening compound: (5E)-1-(4-bromophenyl)-5-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione

4760-0458 Screening compound: (5E)-1-(4-bromophenyl)-5-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione
4760-0458 Screening compound: (5E)-1-(4-bromophenyl)-5-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4760-0458
(5E)-1-(4-bromophenyl)-5-{[1-(propan-2-yl)-1H-indol-3-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

4760-0458

Molecular Formula

C22H18BrN3O3 (C22 H18 BrN3 O3)

Compound Name

(5E)-1-(4-bromophenyl)-5-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-(4-bromophenyl)-5-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}-13-diazinane-246-trione

SMILES

CC(C)n1c(cccc2)c2c(/C=C(\C(NC(N2c(cc3)ccc3Br)=O)=O)/C2=O)c1

InChI

InChI=1S/C22H18BrN3O3/c1-13(2)25-12-14(17-5-3-4-6-19(17)25)11-18-20(27)24-22(29)26(21(18)28)16-9-7-15(23)8-10-16/h3-13H,1-2H3,(H,24,27,29)

InChI Key

GMPLANXTYAZWLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03248080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.31

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

4.088

Distribution Coefficient, logD

3.516

Water Solubility, LogSw

-4.14

Polar Surface Area

56.186

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

-0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 4760-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4760-0458?
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What is the minimum amount of 4760-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4760-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4760-0458
  • 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 4760-0458 available by request