C255-0201 Screening compound: 1-(5-bromo-2-methoxybenzyl)-N-(sec-butyl)-2-methyl-5-oxo-2-pyrrolidinecarboxamide

C255-0201 Screening compound: 1-(5-bromo-2-methoxybenzyl)-N-(sec-butyl)-2-methyl-5-oxo-2-pyrrolidinecarboxamide
C255-0201 Screening compound: 1-(5-bromo-2-methoxybenzyl)-N-(sec-butyl)-2-methyl-5-oxo-2-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C255-0201
1-(5-bromo-2-methoxybenzyl)-N-(sec-butyl)-2-methyl-5-oxo-2-pyrrolidinecarboxamide

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

C255-0201

Molecular Formula

C18H25BrN2O3 (C18 H25 BrN2 O3)

Compound Name

1-(5-bromo-2-methoxybenzyl)-N-(sec-butyl)-2-methyl-5-oxo-2-pyrrolidinecarboxamide

IUPAC name

1-[(5-bromo-2-methoxyphenyl)methyl]-N-(butan-2-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide

SMILES

CCC(C)NC(C(C)(CC1)N(Cc(cc(cc2)Br)c2OC)C1=O)=O

InChI

InChI=1S/C18H25BrN2O3/c1-5-12(2)20-17(23)18(3)9-8-16(22)21(18)11-13-10-14(19)6-7-15(13)24-4/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,20,23)

InChI Key

QMPRHVOAKKBEGW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.959

Distribution Coefficient, logD

2.959

Water Solubility, LogSw

-3.33

Polar Surface Area

48.605

Acid Dissociation Constant (pKa)

14.55

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

C255-0201 in Drug Discovery

Included in Screening Libraries

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

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C255-0201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C255-0201?
Check Price and Availability of C255-0201, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C255-0201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C255-0201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C255-0201
  • 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 C255-0201 available by request