8020-2731 Screening compound: methyl N-[2,4-difluoro-3-(hydroxymethyl)phenyl]carbamate

8020-2731 Screening compound: methyl N-[2,4-difluoro-3-(hydroxymethyl)phenyl]carbamate
8020-2731 Screening compound: methyl N-[2,4-difluoro-3-(hydroxymethyl)phenyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2731
methyl N-[2,4-difluoro-3-(hydroxymethyl)phenyl]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

8020-2731

Molecular Formula

C9H9F2NO3 (C9 H9 F2 NO3)

Compound Name

methyl N-[2,4-difluoro-3-(hydroxymethyl)phenyl]carbamate

IUPAC name

methyl N-[24-difluoro-3-(hydroxymethyl)phenyl]carbamate

SMILES

COC(Nc(ccc(F)c1CO)c1F)=O

InChI

InChI=1S/C9H9F2NO3/c1-15-9(14)12-7-3-2-6(10)5(4-13)8(7)11/h2-3,13H,4H2,1H3,(H,12,14)

InChI Key

SPPUCESLNNJUGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11983407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.17

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.359

Distribution Coefficient, logD

1.251

Water Solubility, LogSw

-1.72

Polar Surface Area

48.520

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8020-2731 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-2731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2731?
Check Price and Availability of 8020-2731, 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 8020-2731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2731
  • 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 8020-2731 available by request