V015-3849 Screening compound: N-benzyl-4-(benzyloxy)-1-[(2Z)-but-2-en-1-yl]-1H-indole-2-carboxamide

V015-3849 Screening compound: N-benzyl-4-(benzyloxy)-1-[(2Z)-but-2-en-1-yl]-1H-indole-2-carboxamide
V015-3849 Screening compound: N-benzyl-4-(benzyloxy)-1-[(2Z)-but-2-en-1-yl]-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-3849
N-benzyl-4-(benzyloxy)-1-[(2Z)-but-2-en-1-yl]-1H-indole-2-carboxamide

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

V015-3849

Molecular Formula

C27H26N2O2 (C27 H26 N2 O2)

Compound Name

N-benzyl-4-(benzyloxy)-1-[(2Z)-but-2-en-1-yl]-1H-indole-2-carboxamide

IUPAC name

N-benzyl-4-(benzyloxy)-1-[(2Z)-but-2-en-1-yl]-1H-indole-2-carboxamide

SMILES

C/C=C\Cn(c(C(NCc1ccccc1)=O)c1)c2c1c(OCc1ccccc1)ccc2

InChI

InChI=1S/C27H26N2O2/c1-2-3-17-29-24-15-10-16-26(31-20-22-13-8-5-9-14-22)23(24)18-25(29)27(30)28-19-21-11-6-4-7-12-21/h2-16,18H,17,19-20H2,1H3,(H,28,30)

InChI Key

ODIVJODKIPSPRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14248065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.351

Distribution Coefficient, logD

6.351

Water Solubility, LogSw

-5.70

Polar Surface Area

32.670

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

V015-3849 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)

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
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V015-3849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-3849?
Check Price and Availability of V015-3849, 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 V015-3849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-3849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-3849
  • 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 V015-3849 available by request