V009-0049 Screening compound: N-[(4-tert-butylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[1-(4-methoxyphenyl)-N-(2-methylpropyl)formamido]acetamide

V009-0049 Screening compound: N-[(4-tert-butylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[1-(4-methoxyphenyl)-N-(2-methylpropyl)formamido]acetamide
V009-0049 Screening compound: N-[(4-tert-butylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[1-(4-methoxyphenyl)-N-(2-methylpropyl)formamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0049
N-[(4-tert-butylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[1-(4-methoxyphenyl)-N-(2-methylpropyl)formamido]acetamide

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

V009-0049

Molecular Formula

C35H43N3O3 (C35 H43 N3 O3)

Compound Name

N-[(4-tert-butylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[1-(4-methoxyphenyl)-N-(2-methylpropyl)formamido]acetamide

IUPAC name

N-[(4-tert-butylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[1-(4-methoxyphenyl)-N-(2-methylpropyl)formamido]acetamide

SMILES

CC(C)CN(CC(N(CCc1c[nH]c2c1cccc2)Cc1ccc(C(C)(C)C)cc1)=O)C(c(cc1)ccc1OC)=O

InChI

InChI=1S/C35H43N3O3/c1-25(2)22-38(34(40)27-13-17-30(41-6)18-14-27)24-33(39)37(23-26-11-15-29(16-12-26)35(3,4)5)20-19-28-21-36-32-10-8-7-9-31(28)32/h7-18,21,25,36H,19-20,22-24H2,1-6H3

InChI Key

XDACFQFUIGOSTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10459727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.803

Distribution Coefficient, logD

6.803

Water Solubility, LogSw

-5.88

Polar Surface Area

49.526

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.10

V009-0049 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Indole Derivatives (10091 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
Structure:
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V009-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0049?
Check Price and Availability of V009-0049, 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 V009-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0049
  • 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 V009-0049 available by request