L329-0881 Screening compound: 6-[4-(3-fluoro-4-methylbenzoyl)-1,4-diazepan-1-yl]-1,3-bis(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

L329-0881 Screening compound: 6-[4-(3-fluoro-4-methylbenzoyl)-1,4-diazepan-1-yl]-1,3-bis(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
L329-0881 Screening compound: 6-[4-(3-fluoro-4-methylbenzoyl)-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 L329-0881
6-[4-(3-fluoro-4-methylbenzoyl)-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

L329-0881

Molecular Formula

C23H31FN4O3 (C23 H31 FN4 O3)

Compound Name

6-[4-(3-fluoro-4-methylbenzoyl)-1,4-diazepan-1-yl]-1,3-bis(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

6-[4-(3-fluoro-4-methylbenzoyl)-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(c2cc(F)c(C)cc2)=O)=O)C1=O

InChI

InChI=1S/C23H31FN4O3/c1-15(2)27-20(14-21(29)28(16(3)4)23(27)31)25-9-6-10-26(12-11-25)22(30)18-8-7-17(5)19(24)13-18/h7-8,13-16H,6,9-12H2,1-5H3

InChI Key

HXODCBFSOUEZKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27246499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.177

Distribution Coefficient, logD

3.177

Water Solubility, LogSw

-3.10

Polar Surface Area

52.421

Acid Dissociation Constant (pKa)

27.80

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

L329-0881 in Drug Discovery

Included in Screening Libraries

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

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L329-0881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L329-0881?
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What is the minimum amount of L329-0881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L329-0881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L329-0881
  • 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 L329-0881 available by request