8012-5969 Screening compound: 2-{4-[chloro(difluoro)methoxy]anilino}tetrahydro-2H-pyran-3,4,5-triol

8012-5969 Screening compound: 2-{4-[chloro(difluoro)methoxy]anilino}tetrahydro-2H-pyran-3,4,5-triol
8012-5969 Screening compound: 2-{4-[chloro(difluoro)methoxy]anilino}tetrahydro-2H-pyran-3,4,5-triol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5969
2-{4-[chloro(difluoro)methoxy]anilino}tetrahydro-2H-pyran-3,4,5-triol

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

8012-5969

Molecular Formula

C12H14ClF2NO5 (C12 H14 ClF2 NO5)

Compound Name

2-{4-[chloro(difluoro)methoxy]anilino}tetrahydro-2H-pyran-3,4,5-triol

IUPAC name

2-{[4-(chlorodifluoromethoxy)phenyl]amino}oxane-345-triol

SMILES

OC(COC(C1O)Nc(cc2)ccc2OC(F)(F)Cl)C1O

InChI

InChI=1S/C12H14ClF2NO5/c13-12(14,15)21-7-3-1-6(2-4-7)16-11-10(19)9(18)8(17)5-20-11/h1-4,8-11,16-19H,5H2

InChI Key

GFWPUCQINPBNKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.041

Distribution Coefficient, logD

1.041

Water Solubility, LogSw

-1.77

Polar Surface Area

72.934

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

7.77

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

8012-5969 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 8012-5969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5969?
Check Price and Availability of 8012-5969, 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 8012-5969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5969
  • 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 8012-5969 available by request