8005-4265 Screening compound: 1-[(1,3-dichloropropan-2-yl)oxy]-3-[methyl(sulfonato)amino]propan-2-ol

8005-4265 Screening compound: 1-[(1,3-dichloropropan-2-yl)oxy]-3-[methyl(sulfonato)amino]propan-2-ol
8005-4265 Screening compound: 1-[(1,3-dichloropropan-2-yl)oxy]-3-[methyl(sulfonato)amino]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4265
1-[(1,3-dichloropropan-2-yl)oxy]-3-[methyl(sulfonato)amino]propan-2-ol

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

8005-4265

Molecular Formula

C7H14Cl2NO5S (C7 H14 Cl2 NO5 S)

Compound Name

1-[(1,3-dichloropropan-2-yl)oxy]-3-[methyl(sulfonato)amino]propan-2-ol

IUPAC name

1-[(13-dichloropropan-2-yl)oxy]-3-[methyl(sulfonato)amino]propan-2-ol

SMILES

CN(CC(COC(CCl)CCl)O)S([O-])(=O)=O

InChI

InChI=1S/C7H15Cl2NO5S/c1-10(16(12,13)14)4-6(11)5-15-7(2-8)3-9/h6-7,11H,2-5H2,1H3,(H,12,13,14)/p-1/t6-/m0/s1

InChI Key

UPQJEHDNBVIVFN-LURJTMIESA-M

MDL Number (MFCD)

MFCD00472689

Chemical and Physical Properties

Saltdata

K+

Molecular Weight

295.16

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-1.111

Distribution Coefficient, logD

-1.111

Water Solubility, LogSw

-0.44

Polar Surface Area

71.717

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

100.00

8005-4265 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8005-4265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4265?
Check Price and Availability of 8005-4265, 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 8005-4265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4265
  • 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 8005-4265 available by request