4721-1257 Screening compound: 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

4721-1257 Screening compound: 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
4721-1257 Screening compound: 1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4721-1257
1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-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

4721-1257

Molecular Formula

C19H19BrN2O3 (C19 H19 BrN2 O3)

Compound Name

1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

SMILES

COc1c(CNC(C(CC2=O)CN2c(cc2)ccc2Br)=O)cccc1

InChI

InChI=1S/C19H19BrN2O3/c1-25-17-5-3-2-4-13(17)11-21-19(24)14-10-18(23)22(12-14)16-8-6-15(20)7-9-16/h2-9,14H,10-12H2,1H3,(H,21,24)/t14-/m1/s1

InChI Key

LXIXMFRITBEXHH-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01441279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

3.002

Water Solubility, LogSw

-3.19

Polar Surface Area

49.032

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

4721-1257 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4721-1257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4721-1257?
Check Price and Availability of 4721-1257, 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 4721-1257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4721-1257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4721-1257
  • 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 4721-1257 available by request