0897-0114 Screening compound: diethyl [({[(4-chlorophenyl)carbamoyl]amino}carbamoyl)methyl]phosphonate

0897-0114 Screening compound: diethyl [({[(4-chlorophenyl)carbamoyl]amino}carbamoyl)methyl]phosphonate
0897-0114 Screening compound: diethyl [({[(4-chlorophenyl)carbamoyl]amino}carbamoyl)methyl]phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0897-0114
diethyl [({[(4-chlorophenyl)carbamoyl]amino}carbamoyl)methyl]phosphonate

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

0897-0114

Molecular Formula

C13H19ClN3O5P (C13 H19 ClN3 O5 P)

Compound Name

diethyl [({[(4-chlorophenyl)carbamoyl]amino}carbamoyl)methyl]phosphonate

IUPAC name

diethyl [({[(4-chlorophenyl)carbamoyl]amino}carbamoyl)methyl]phosphonate

SMILES

CCOP(CC(NNC(Nc(cc1)ccc1Cl)=O)=O)(OCC)=O

InChI

InChI=1S/C13H19ClN3O5P/c1-3-21-23(20,22-4-2)9-12(18)16-17-13(19)15-11-7-5-10(14)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,16,18)(H2,15,17,19)

InChI Key

ZPGUBZCPZXZFBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01826373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.495

Distribution Coefficient, logD

0.455

Water Solubility, LogSw

-2.25

Polar Surface Area

89.600

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

0897-0114 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 0897-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0897-0114?
Check Price and Availability of 0897-0114, 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 0897-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0897-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0897-0114
  • 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 0897-0114 available by request