5225-6829 Screening compound: 3-{[4-(dimethylamino)phenyl]carbamoyl}-2-{[(oxolan-2-yl)methyl]amino}propanoic acid

5225-6829 Screening compound: 3-{[4-(dimethylamino)phenyl]carbamoyl}-2-{[(oxolan-2-yl)methyl]amino}propanoic acid
5225-6829 Screening compound: 3-{[4-(dimethylamino)phenyl]carbamoyl}-2-{[(oxolan-2-yl)methyl]amino}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5225-6829
3-{[4-(dimethylamino)phenyl]carbamoyl}-2-{[(oxolan-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

5225-6829

Molecular Formula

C17H25N3O4 (C17 H25 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CN(C)c(cc1)ccc1NC(CC(C(O)=O)NCC1OCCC1)=O

InChI

InChI=1S/C17H25N3O4/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/h5-8,14-15,18H,3-4,9-11H2,1-2H3,(H,19,21)(H,22,23)

InChI Key

FPTFIGQANAMRRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04426846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.4

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

-0.198

Distribution Coefficient, logD

-3.318

Water Solubility, LogSw

-1.77

Polar Surface Area

74.442

Acid Dissociation Constant (pKa)

2.41

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.90

5225-6829 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5225-6829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5225-6829?
Check Price and Availability of 5225-6829, 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 5225-6829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5225-6829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5225-6829
  • 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 5225-6829 available by request