4386-4607 Screening compound: benzyl N-[1-(hydroxymethyl)-3-(methylsulfanyl)propyl]carbamate

4386-4607 Screening compound: benzyl N-[1-(hydroxymethyl)-3-(methylsulfanyl)propyl]carbamate
4386-4607 Screening compound: benzyl N-[1-(hydroxymethyl)-3-(methylsulfanyl)propyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4386-4607
benzyl N-[1-(hydroxymethyl)-3-(methylsulfanyl)propyl]carbamate

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

4386-4607

Molecular Formula

C13H19NO3S (C13 H19 NO3 S)

Compound Name

benzyl N-[1-(hydroxymethyl)-3-(methylsulfanyl)propyl]carbamate

IUPAC name

benzyl N-[1-hydroxy-4-(methylsulfanyl)butan-2-yl]carbamate

SMILES

CSCCC(CO)NC(OCc1ccccc1)=O

InChI

InChI=1S/C13H19NO3S/c1-18-8-7-12(9-15)14-13(16)17-10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3,(H,14,16)/t12-/m0/s1

InChI Key

QMBHBNHURNGTAS-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.530

Distribution Coefficient, logD

2.530

Water Solubility, LogSw

-2.56

Polar Surface Area

50.404

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

4386-4607 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4386-4607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4386-4607?
Check Price and Availability of 4386-4607, 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 4386-4607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4386-4607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4386-4607
  • 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 4386-4607 available by request