C255-0876 Screening compound: 1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide

C255-0876 Screening compound: 1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
C255-0876 Screening compound: 1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C255-0876
1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide

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

C255-0876

Molecular Formula

C19H27BrN2O3 (C19 H27 BrN2 O3)

Compound Name

1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide

IUPAC name

1-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide

SMILES

CC(C)CCNC(C(C)(CC1)N(Cc(cc(cc2)Br)c2OC)C1=O)=O

InChI

InChI=1S/C19H27BrN2O3/c1-13(2)8-10-21-18(24)19(3)9-7-17(23)22(19)12-14-11-15(20)5-6-16(14)25-4/h5-6,11,13H,7-10,12H2,1-4H3,(H,21,24)/t19-/m0/s1

InChI Key

NIILYSKGIGJLSY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14736319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.679

Distribution Coefficient, logD

3.679

Water Solubility, LogSw

-3.96

Polar Surface Area

49.005

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

C255-0876 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C255-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C255-0876?
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What is the minimum amount of C255-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C255-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C255-0876
  • 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 C255-0876 available by request