V030-9608 Screening compound: butyl 3-(1H-indol-3-yl)-2-[(4-methylphenyl)formamido]propanoate

V030-9608 Screening compound: butyl 3-(1H-indol-3-yl)-2-[(4-methylphenyl)formamido]propanoate
V030-9608 Screening compound: butyl 3-(1H-indol-3-yl)-2-[(4-methylphenyl)formamido]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9608
butyl 3-(1H-indol-3-yl)-2-[(4-methylphenyl)formamido]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

V030-9608

Molecular Formula

C23H26N2O3 (C23 H26 N2 O3)

Compound Name

butyl 3-(1H-indol-3-yl)-2-[(4-methylphenyl)formamido]propanoate

IUPAC name

butyl 3-(1H-indol-3-yl)-2-[(4-methylphenyl)formamido]propanoate

SMILES

CCCCOC(C(Cc1c[nH]c2c1cccc2)NC(c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C23H26N2O3/c1-3-4-13-28-23(27)21(25-22(26)17-11-9-16(2)10-12-17)14-18-15-24-20-8-6-5-7-19(18)20/h5-12,15,21,24H,3-4,13-14H2,1-2H3,(H,25,26)/t21-/m0/s1

InChI Key

YGIFLXLFOXMIGM-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01252312

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

378.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.754

Distribution Coefficient, logD

4.754

Water Solubility, LogSw

-4.73

Polar Surface Area

55.201

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

V030-9608 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V030-9608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9608?
Check Price and Availability of V030-9608, 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 V030-9608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9608
  • 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 V030-9608 available by request