L329-0846 Screening compound: 6-[4-(2-oxo-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]-1,3-bis(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

L329-0846 Screening compound: 6-[4-(2-oxo-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]-1,3-bis(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
L329-0846 Screening compound: 6-[4-(2-oxo-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]-1,3-bis(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L329-0846
6-[4-(2-oxo-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]-1,3-bis(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

L329-0846

Molecular Formula

C25H30N4O5 (C25 H30 N4 O5)

Compound Name

6-[4-(2-oxo-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]-1,3-bis(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

6-[4-(2-oxo-2H-chromene-3-carbonyl)-14-diazepan-1-yl]-13-bis(propan-2-yl)-1234-tetrahydropyrimidine-24-dione

SMILES

CC(C)N(C(C=C(N1C(C)C)N(CCC2)CCN2C(C2=Cc(cccc3)c3OC2=O)=O)=O)C1=O

InChI

InChI=1S/C25H30N4O5/c1-16(2)28-21(15-22(30)29(17(3)4)25(28)33)26-10-7-11-27(13-12-26)23(31)19-14-18-8-5-6-9-20(18)34-24(19)32/h5-6,8-9,14-17H,7,10-13H2,1-4H3

InChI Key

AYUVLURMZHNTQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15124469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.578

Distribution Coefficient, logD

2.578

Water Solubility, LogSw

-2.90

Polar Surface Area

73.343

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

L329-0846 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L329-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L329-0846?
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What is the minimum amount of L329-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L329-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L329-0846
  • 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 L329-0846 available by request