4464-1035 Screening compound: tert-butyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-carbamoylpropanamido)-3-(tert-butoxy)propanoate

4464-1035 Screening compound: tert-butyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-carbamoylpropanamido)-3-(tert-butoxy)propanoate
4464-1035 Screening compound: tert-butyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-carbamoylpropanamido)-3-(tert-butoxy)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4464-1035
tert-butyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-carbamoylpropanamido)-3-(tert-butoxy)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

4464-1035

Molecular Formula

C23H35N3O7 (C23 H35 N3 O7)

Compound Name

tert-butyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-carbamoylpropanamido)-3-(tert-butoxy)propanoate

IUPAC name

tert-butyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-carbamoylpropanamido)-3-(tert-butoxy)propanoate

SMILES

CC(C)(C)OCC(C(OC(C)(C)C)=O)NC(C(CC(N)=O)NC(OCc1ccccc1)=O)=O

InChI

InChI=1S/C23H35N3O7/c1-22(2,3)32-14-17(20(29)33-23(4,5)6)25-19(28)16(12-18(24)27)26-21(30)31-13-15-10-8-7-9-11-15/h7-11,16-17H,12-14H2,1-6H3,(H2,24,27)(H,25,28)(H,26,30)

InChI Key

WPPQUYBMOAQNEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.187

Distribution Coefficient, logD

3.187

Water Solubility, LogSw

-3.46

Polar Surface Area

117.290

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.50

4464-1035 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4464-1035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4464-1035?
Check Price and Availability of 4464-1035, 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 4464-1035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4464-1035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4464-1035
  • 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 4464-1035 available by request