4724-4749 Screening compound: 2-(3-{[(5Z)-1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid

4724-4749 Screening compound: 2-(3-{[(5Z)-1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid
4724-4749 Screening compound: 2-(3-{[(5Z)-1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4724-4749
2-(3-{[(5Z)-1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid

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

4724-4749

Molecular Formula

C22H16BrN3O5 (C22 H16 BrN3 O5)

Compound Name

2-(3-{[(5Z)-1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid

IUPAC name

2-(3-{[(5Z)-1-(4-bromo-3-methylphenyl)-246-trioxo-13-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetic acid

SMILES

Cc(cc(cc1)N(C(/C(/C(N2)=O)=C\c3cn(CC(O)=O)c4c3cccc4)=O)C2=O)c1Br

InChI

InChI=1S/C22H16BrN3O5/c1-12-8-14(6-7-17(12)23)26-21(30)16(20(29)24-22(26)31)9-13-10-25(11-19(27)28)18-5-3-2-4-15(13)18/h2-10H,11H2,1H3,(H,27,28)(H,24,29,31)

InChI Key

NPQKLNZXFAOXCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02623690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.123

Distribution Coefficient, logD

-1.859

Water Solubility, LogSw

-2.72

Polar Surface Area

83.778

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 4724-4749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4724-4749?
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What is the minimum amount of 4724-4749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4724-4749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4724-4749
  • 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 4724-4749 available by request