V009-3874 Screening compound: N~1~-(2-{(3,4-dimethoxybenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)-N~1~-isobutyl-4-methylbenzamide

V009-3874 Screening compound: N~1~-(2-{(3,4-dimethoxybenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)-N~1~-isobutyl-4-methylbenzamide
V009-3874 Screening compound: N~1~-(2-{(3,4-dimethoxybenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)-N~1~-isobutyl-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-3874
N~1~-(2-{(3,4-dimethoxybenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)-N~1~-isobutyl-4-methylbenzamide

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

V009-3874

Molecular Formula

C33H39N3O4 (C33 H39 N3 O4)

Compound Name

N~1~-(2-{(3,4-dimethoxybenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)-N~1~-isobutyl-4-methylbenzamide

IUPAC name

N-[(34-dimethoxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[1-(4-methylphenyl)-N-(2-methylpropyl)formamido]acetamide

SMILES

CC(C)CN(CC(N(CCc1c[nH]c2c1cccc2)Cc(cc1)cc(OC)c1OC)=O)C(c1ccc(C)cc1)=O

InChI

InChI=1S/C33H39N3O4/c1-23(2)20-36(33(38)26-13-10-24(3)11-14-26)22-32(37)35(21-25-12-15-30(39-4)31(18-25)40-5)17-16-27-19-34-29-9-7-6-8-28(27)29/h6-15,18-19,23,34H,16-17,20-22H2,1-5H3

InChI Key

VXWAZMSTWJTMLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19734691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.022

Distribution Coefficient, logD

5.022

Water Solubility, LogSw

-4.78

Polar Surface Area

57.243

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

V009-3874 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V009-3874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-3874?
Check Price and Availability of V009-3874, 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 V009-3874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-3874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-3874
  • 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 V009-3874 available by request