4729-1303 Screening compound: 3-{[1,4'-bipiperidin]-1'-yl}-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

4729-1303 Screening compound: 3-{[1,4'-bipiperidin]-1'-yl}-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
4729-1303 Screening compound: 3-{[1,4'-bipiperidin]-1'-yl}-1-(4-methoxyphenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4729-1303
3-{[1,4'-bipiperidin]-1'-yl}-1-(4-methoxyphenyl)pyrrolidine-2,5-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

4729-1303

Molecular Formula

C21H29N3O3 (C21 H29 N3 O3)

Compound Name

3-{[1,4'-bipiperidin]-1'-yl}-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

IUPAC name

3-{[14'-bipiperidin]-1'-yl}-1-(4-methoxyphenyl)pyrrolidine-25-dione

SMILES

COc(cc1)ccc1N(C(CC1N(CC2)CCC2N2CCCCC2)=O)C1=O

InChI

InChI=1S/C21H29N3O3/c1-27-18-7-5-17(6-8-18)24-20(25)15-19(21(24)26)23-13-9-16(10-14-23)22-11-3-2-4-12-22/h5-8,16,19H,2-4,9-15H2,1H3/t19-/m0/s1

InChI Key

RPINARXRRDJANH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02626112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.519

Distribution Coefficient, logD

-0.585

Water Solubility, LogSw

-1.88

Polar Surface Area

42.625

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

9.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

4729-1303 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4729-1303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4729-1303?
Check Price and Availability of 4729-1303, 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 4729-1303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4729-1303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4729-1303
  • 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 4729-1303 available by request