3448-2141 Screening compound: 1-(3-chloro-4-methylphenyl)-N-hexyl-5-oxopyrrolidine-3-carboxamide

3448-2141 Screening compound: 1-(3-chloro-4-methylphenyl)-N-hexyl-5-oxopyrrolidine-3-carboxamide
3448-2141 Screening compound: 1-(3-chloro-4-methylphenyl)-N-hexyl-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-2141
1-(3-chloro-4-methylphenyl)-N-hexyl-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

3448-2141

Molecular Formula

C18H25ClN2O2 (C18 H25 ClN2 O2)

Compound Name

1-(3-chloro-4-methylphenyl)-N-hexyl-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-(3-chloro-4-methylphenyl)-N-hexyl-5-oxopyrrolidine-3-carboxamide

SMILES

CCCCCCNC(C(CC1=O)CN1c1cc(Cl)c(C)cc1)=O

InChI

InChI=1S/C18H25ClN2O2/c1-3-4-5-6-9-20-18(23)14-10-17(22)21(12-14)15-8-7-13(2)16(19)11-15/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,20,23)/t14-/m1/s1

InChI Key

UBZZDJWBUFHIRM-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01895837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.155

Distribution Coefficient, logD

4.155

Water Solubility, LogSw

-4.37

Polar Surface Area

41.515

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

3448-2141 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 3448-2141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-2141?
Check Price and Availability of 3448-2141, 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 3448-2141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-2141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-2141
  • 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 3448-2141 available by request