4553-3817 Screening compound: 3-{[4-(dimethylamino)phenyl]carbamoyl}-2-{[(furan-2-yl)methyl]amino}propanoic acid

4553-3817 Screening compound: 3-{[4-(dimethylamino)phenyl]carbamoyl}-2-{[(furan-2-yl)methyl]amino}propanoic acid
4553-3817 Screening compound: 3-{[4-(dimethylamino)phenyl]carbamoyl}-2-{[(furan-2-yl)methyl]amino}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4553-3817
3-{[4-(dimethylamino)phenyl]carbamoyl}-2-{[(furan-2-yl)methyl]amino}propanoic acid

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

4553-3817

Molecular Formula

C17H21N3O4 (C17 H21 N3 O4)

Compound Name

3-{[4-(dimethylamino)phenyl]carbamoyl}-2-{[(furan-2-yl)methyl]amino}propanoic acid

IUPAC name

3-{[4-(dimethylamino)phenyl]carbamoyl}-2-{[(furan-2-yl)methyl]amino}propanoic acid

SMILES

CN(C)c(cc1)ccc1NC(CC(C(O)=O)NCc1ccco1)=O

InChI

InChI=1S/C17H21N3O4/c1-20(2)13-7-5-12(6-8-13)19-16(21)10-15(17(22)23)18-11-14-4-3-9-24-14/h3-9,15,18H,10-11H2,1-2H3,(H,19,21)(H,22,23)/t15-/m0/s1

InChI Key

ZMGGISOVWBGHSC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03447756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.572

Distribution Coefficient, logD

-2.384

Water Solubility, LogSw

-1.65

Polar Surface Area

73.536

Acid Dissociation Constant (pKa)

2.58

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

4553-3817 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4553-3817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4553-3817?
Check Price and Availability of 4553-3817, 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 4553-3817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4553-3817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4553-3817
  • 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 4553-3817 available by request