5585-0287 Screening compound: methyl 2-{2-[2-(2-{[(tert-butoxy)carbonyl]amino}acetamido)acetamido]-3-phenylpropanamido}-3-phenylpropanoate

5585-0287 Screening compound: methyl 2-{2-[2-(2-{[(tert-butoxy)carbonyl]amino}acetamido)acetamido]-3-phenylpropanamido}-3-phenylpropanoate
5585-0287 Screening compound: methyl 2-{2-[2-(2-{[(tert-butoxy)carbonyl]amino}acetamido)acetamido]-3-phenylpropanamido}-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5585-0287
methyl 2-{2-[2-(2-{[(tert-butoxy)carbonyl]amino}acetamido)acetamido]-3-phenylpropanamido}-3-phenylpropanoate

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

5585-0287

Molecular Formula

C28H36N4O7 (C28 H36 N4 O7)

Compound Name

methyl 2-{2-[2-(2-{[(tert-butoxy)carbonyl]amino}acetamido)acetamido]-3-phenylpropanamido}-3-phenylpropanoate

IUPAC name

methyl 2-{2-[2-(2-{[(tert-butoxy)carbonyl]amino}acetamido)acetamido]-3-phenylpropanamido}-3-phenylpropanoate

SMILES

CC(C)(C)OC(NCC(NCC(NC(Cc1ccccc1)C(NC(Cc1ccccc1)C(OC)=O)=O)=O)=O)=O

InChI

InChI=1S/C28H36N4O7/c1-28(2,3)39-27(37)30-17-23(33)29-18-24(34)31-21(15-19-11-7-5-8-12-19)25(35)32-22(26(36)38-4)16-20-13-9-6-10-14-20/h5-14,21-22H,15-18H2,1-4H3,(H,29,33)(H,30,37)(H,31,34)(H,32,35)

InChI Key

QYLXHIFSZBKDIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.62

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.408

Distribution Coefficient, logD

3.408

Water Solubility, LogSw

-3.63

Polar Surface Area

125.905

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.30

5585-0287 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5585-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5585-0287?
Check Price and Availability of 5585-0287, 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 5585-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5585-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5585-0287
  • 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 5585-0287 available by request