8020-2388 Screening compound: methyl 3-(4-aminophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoate

8020-2388 Screening compound: methyl 3-(4-aminophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoate
8020-2388 Screening compound: methyl 3-(4-aminophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2388
methyl 3-(4-aminophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoate

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

8020-2388

Molecular Formula

C15H22N2O4 (C15 H22 N2 O4)

Compound Name

methyl 3-(4-aminophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoate

IUPAC name

methyl (2S)-3-(4-aminophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoate

SMILES

CC(C)(C)OC(NC(Cc(cc1)ccc1N)C(OC)=O)=O

InChI

InChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)17-12(13(18)20-4)9-10-5-7-11(16)8-6-10/h5-8,12H,9,16H2,1-4H3,(H,17,19)/t12-/m0/s1

InChI Key

UUSXEIQYCSXKPN-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.257

Distribution Coefficient, logD

2.257

Water Solubility, LogSw

-2.72

Polar Surface Area

73.724

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

8020-2388 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-2388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2388?
Check Price and Availability of 8020-2388, 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 8020-2388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2388
  • 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 8020-2388 available by request