4877-0173 Screening compound: N~1~-[5-(2-furylmethyl)-1,3,5-triazinan-2-yliden]-1-butanesulfonamide

4877-0173 Screening compound: N~1~-[5-(2-furylmethyl)-1,3,5-triazinan-2-yliden]-1-butanesulfonamide
4877-0173 Screening compound: N~1~-[5-(2-furylmethyl)-1,3,5-triazinan-2-yliden]-1-butanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4877-0173
N~1~-[5-(2-furylmethyl)-1,3,5-triazinan-2-yliden]-1-butanesulfonamide

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

4877-0173

Molecular Formula

C12H20N4O3S (C12 H20 N4 O3 S)

Compound Name

N~1~-[5-(2-furylmethyl)-1,3,5-triazinan-2-yliden]-1-butanesulfonamide

IUPAC name

n/a

SMILES

CCCCS(N=C1NCN(Cc2ccco2)CN1)(=O)=O

InChI

InChI=1S/C12H20N4O3S/c1-2-3-7-20(17,18)15-12-13-9-16(10-14-12)8-11-5-4-6-19-11/h4-6H,2-3,7-10H2,1H3,(H2,13,14,15)

InChI Key

XIEDWZFCGHTSJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02615011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.863

Distribution Coefficient, logD

0.379

Water Solubility, LogSw

-2.19

Polar Surface Area

73.374

Acid Dissociation Constant (pKa)

15.77

Base Dissociation Constant (pKb)

7.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

4877-0173 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 4877-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4877-0173?
Check Price and Availability of 4877-0173, 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 4877-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4877-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4877-0173
  • 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 4877-0173 available by request