4799-3103 Screening compound: (5E)-1-(3-bromophenyl)-5-[(1-methyl-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

4799-3103 Screening compound: (5E)-1-(3-bromophenyl)-5-[(1-methyl-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
4799-3103 Screening compound: (5E)-1-(3-bromophenyl)-5-[(1-methyl-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4799-3103
(5E)-1-(3-bromophenyl)-5-[(1-methyl-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

4799-3103

Molecular Formula

C20H14BrN3O3 (C20 H14 BrN3 O3)

Compound Name

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

IUPAC name

(5E)-1-(3-bromophenyl)-5-[(1-methyl-1H-indol-3-yl)methylidene]-13-diazinane-246-trione

SMILES

Cn1c(cccc2)c2c(/C=C(\C(NC(N2c3cccc(Br)c3)=O)=O)/C2=O)c1

InChI

InChI=1S/C20H14BrN3O3/c1-23-11-12(15-7-2-3-8-17(15)23)9-16-18(25)22-20(27)24(19(16)26)14-6-4-5-13(21)10-14/h2-11H,1H3,(H,22,25,27)

InChI Key

KOJJGUBAQNAYFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02782793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.194

Distribution Coefficient, logD

1.801

Water Solubility, LogSw

-3.46

Polar Surface Area

55.950

Acid Dissociation Constant (pKa)

6.02

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 4799-3103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4799-3103?
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What is the minimum amount of 4799-3103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4799-3103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4799-3103
  • 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 4799-3103 available by request