L329-0311 Screening compound: 1,3-dimethyl-6-{4-[2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

L329-0311 Screening compound: 1,3-dimethyl-6-{4-[2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
L329-0311 Screening compound: 1,3-dimethyl-6-{4-[2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L329-0311
1,3-dimethyl-6-{4-[2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetyl]piperazin-1-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

L329-0311

Molecular Formula

C21H25N5O5 (C21 H25 N5 O5)

Compound Name

1,3-dimethyl-6-{4-[2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

13-dimethyl-6-{4-[2-(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)acetyl]piperazin-1-yl}-1234-tetrahydropyrimidine-24-dione

SMILES

CC1Oc(cccc2)c2N(CC(N(CC2)CCN2C(N(C)C(N2C)=O)=CC2=O)=O)C1=O

InChI

InChI=1S/C21H25N5O5/c1-14-20(29)26(15-6-4-5-7-16(15)31-14)13-19(28)25-10-8-24(9-11-25)17-12-18(27)23(3)21(30)22(17)2/h4-7,12,14H,8-11,13H2,1-3H3/t14-/m1/s1

InChI Key

HBHIBRDJKKLXMT-CQSZACIVSA-N

MDL Number (MFCD)

MFCD15124459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.397

Distribution Coefficient, logD

0.397

Water Solubility, LogSw

-1.50

Polar Surface Area

74.758

Acid Dissociation Constant (pKa)

18.14

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

L329-0311 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L329-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L329-0311?
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What is the minimum amount of L329-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L329-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L329-0311
  • 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 L329-0311 available by request