4554-7312 Screening compound: methyl N-[(4-fluorophenyl)[(methoxycarbonyl)amino]methyl]carbamate

4554-7312 Screening compound: methyl N-[(4-fluorophenyl)[(methoxycarbonyl)amino]methyl]carbamate
4554-7312 Screening compound: methyl N-[(4-fluorophenyl)[(methoxycarbonyl)amino]methyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4554-7312
methyl N-[(4-fluorophenyl)[(methoxycarbonyl)amino]methyl]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

4554-7312

Molecular Formula

C11H13FN2O4 (C11 H13 FN2 O4)

Compound Name

methyl N-[(4-fluorophenyl)[(methoxycarbonyl)amino]methyl]carbamate

IUPAC name

methyl N-[(4-fluorophenyl)[(methoxycarbonyl)amino]methyl]carbamate

SMILES

COC(NC(c(cc1)ccc1F)NC(OC)=O)=O

InChI

InChI=1S/C11H13FN2O4/c1-17-10(15)13-9(14-11(16)18-2)7-3-5-8(12)6-4-7/h3-6,9H,1-2H3,(H,13,15)(H,14,16)

InChI Key

LLCUICKWOMGWPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01407948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.163

Distribution Coefficient, logD

1.162

Water Solubility, LogSw

-1.71

Polar Surface Area

64.902

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

4554-7312 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4554-7312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-7312?
Check Price and Availability of 4554-7312, 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 4554-7312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-7312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-7312
  • 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 4554-7312 available by request