L329-0841 Screening compound: 6-{4-[3-(2-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl}-1,3-bis(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

L329-0841 Screening compound: 6-{4-[3-(2-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl}-1,3-bis(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
L329-0841 Screening compound: 6-{4-[3-(2-methoxyphenyl)propanoyl]-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 L329-0841
6-{4-[3-(2-methoxyphenyl)propanoyl]-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

L329-0841

Molecular Formula

C25H36N4O4 (C25 H36 N4 O4)

Compound Name

6-{4-[3-(2-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl}-1,3-bis(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

6-{4-[3-(2-methoxyphenyl)propanoyl]-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(CCc(cccc2)c2OC)=O)=O)C1=O

InChI

InChI=1S/C25H36N4O4/c1-18(2)28-22(17-24(31)29(19(3)4)25(28)32)26-13-8-14-27(16-15-26)23(30)12-11-20-9-6-7-10-21(20)33-5/h6-7,9-10,17-19H,8,11-16H2,1-5H3

InChI Key

ANJJKDSQGARKKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27246477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.168

Distribution Coefficient, logD

3.168

Water Solubility, LogSw

-3.36

Polar Surface Area

59.524

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

L329-0841 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 L329-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L329-0841?
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What is the minimum amount of L329-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L329-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L329-0841
  • 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 L329-0841 available by request