R052-1719 Screening compound: 1'-[2-({4'-carbamoyl-[1,4'-bipiperidin]-1'-yl}sulfonyl)benzenesulfonyl]-[1,4'-bipiperidine]-4'-carboxamide

R052-1719 Screening compound: 1'-[2-({4'-carbamoyl-[1,4'-bipiperidin]-1'-yl}sulfonyl)benzenesulfonyl]-[1,4'-bipiperidine]-4'-carboxamide
R052-1719 Screening compound: 1'-[2-({4'-carbamoyl-[1,4'-bipiperidin]-1'-yl}sulfonyl)benzenesulfonyl]-[1,4'-bipiperidine]-4'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-1719
1'-[2-({4'-carbamoyl-[1,4'-bipiperidin]-1'-yl}sulfonyl)benzenesulfonyl]-[1,4'-bipiperidine]-4'-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

R052-1719

Molecular Formula

C28H44N6O6S2 (C28 H44 N6 O6 S2)

Compound Name

1'-[2-({4'-carbamoyl-[1,4'-bipiperidin]-1'-yl}sulfonyl)benzenesulfonyl]-[1,4'-bipiperidine]-4'-carboxamide

IUPAC name

1'-[2-({4'-carbamoyl-[14'-bipiperidin]-1'-yl}sulfonyl)benzenesulfonyl]-[14'-bipiperidine]-4'-carboxamide

SMILES

NC(C(CC1)(CCN1S(c(cccc1)c1S(N(CC1)CCC1(C(N)=O)N1CCCCC1)(=O)=O)(=O)=O)N1CCCCC1)=O

InChI

InChI=1S/C28H44N6O6S2/c29-25(35)27(31-15-5-1-6-16-31)11-19-33(20-12-27)41(37,38)23-9-3-4-10-24(23)42(39,40)34-21-13-28(14-22-34,26(30)36)32-17-7-2-8-18-32/h3-4,9-10H,1-2,5-8,11-22H2,(H2,29,35)(H2,30,36)

InChI Key

NAZGUOACXSMSLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02939910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

624.83

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.766

Distribution Coefficient, logD

1.532

Water Solubility, LogSw

-2.29

Polar Surface Area

137.932

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

R052-1719 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with R052-1719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-1719?
Check Price and Availability of R052-1719, 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 R052-1719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-1719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-1719
  • 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 R052-1719 available by request