0276-0117 Screening compound: methyl 2-{2-[4-(benzyloxy)-2-(2-{[(tert-butoxy)carbonyl]amino}propanamido)-4-oxobutanamido]propanamido}-3-methylpentanoate

0276-0117 Screening compound: methyl 2-{2-[4-(benzyloxy)-2-(2-{[(tert-butoxy)carbonyl]amino}propanamido)-4-oxobutanamido]propanamido}-3-methylpentanoate
0276-0117 Screening compound: methyl 2-{2-[4-(benzyloxy)-2-(2-{[(tert-butoxy)carbonyl]amino}propanamido)-4-oxobutanamido]propanamido}-3-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0276-0117
methyl 2-{2-[4-(benzyloxy)-2-(2-{[(tert-butoxy)carbonyl]amino}propanamido)-4-oxobutanamido]propanamido}-3-methylpentanoate

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

0276-0117

Molecular Formula

C29H44N4O9 (C29 H44 N4 O9)

Compound Name

methyl 2-{2-[4-(benzyloxy)-2-(2-{[(tert-butoxy)carbonyl]amino}propanamido)-4-oxobutanamido]propanamido}-3-methylpentanoate

IUPAC name

methyl 2-{2-[4-(benzyloxy)-2-(2-{[(tert-butoxy)carbonyl]amino}propanamido)-4-oxobutanamido]propanamido}-3-methylpentanoate

SMILES

CCC(C)C(C(OC)=O)NC(C(C)NC(C(CC(OCc1ccccc1)=O)NC(C(C)NC(OC(C)(C)C)=O)=O)=O)=O

InChI

InChI=1S/C29H44N4O9/c1-9-17(2)23(27(38)40-8)33-25(36)18(3)30-26(37)21(15-22(34)41-16-20-13-11-10-12-14-20)32-24(35)19(4)31-28(39)42-29(5,6)7/h10-14,17-19,21,23H,9,15-16H2,1-8H3,(H,30,37)(H,31,39)(H,32,35)(H,33,36)

InChI Key

DFJFWTTXKHYXQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00619210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.69

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

22.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.450

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-3.73

Polar Surface Area

145.185

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

58.60

0276-0117 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 0276-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0276-0117?
Check Price and Availability of 0276-0117, 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 0276-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0276-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0276-0117
  • 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 0276-0117 available by request