V005-2669 Screening compound: N~1~-{2-[[2-(1H-indol-3-yl)ethyl](4-methylbenzyl)amino]-2-oxoethyl}-N~1~-isobutyl-4-methyl-3-nitrobenzamide

V005-2669 Screening compound: N~1~-{2-[[2-(1H-indol-3-yl)ethyl](4-methylbenzyl)amino]-2-oxoethyl}-N~1~-isobutyl-4-methyl-3-nitrobenzamide
V005-2669 Screening compound: N~1~-{2-[[2-(1H-indol-3-yl)ethyl](4-methylbenzyl)amino]-2-oxoethyl}-N~1~-isobutyl-4-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-2669
N~1~-{2-[[2-(1H-indol-3-yl)ethyl](4-methylbenzyl)amino]-2-oxoethyl}-N~1~-isobutyl-4-methyl-3-nitrobenzamide

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

V005-2669

Molecular Formula

C32H36N4O4 (C32 H36 N4 O4)

Compound Name

N~1~-{2-[[2-(1H-indol-3-yl)ethyl](4-methylbenzyl)amino]-2-oxoethyl}-N~1~-isobutyl-4-methyl-3-nitrobenzamide

IUPAC name

n/a

SMILES

CC(C)CN(CC(N(CCc1c[nH]c2c1cccc2)Cc1ccc(C)cc1)=O)C(c1cc([N+]([O-])=O)c(C)cc1)=O

InChI

InChI=1S/C32H36N4O4/c1-22(2)19-35(32(38)26-14-11-24(4)30(17-26)36(39)40)21-31(37)34(20-25-12-9-23(3)10-13-25)16-15-27-18-33-29-8-6-5-7-28(27)29/h5-14,17-18,22,33H,15-16,19-21H2,1-4H3

InChI Key

XEAAAEWJKXVSPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19734789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.713

Distribution Coefficient, logD

5.713

Water Solubility, LogSw

-5.66

Polar Surface Area

75.063

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

V005-2669 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 V005-2669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-2669?
Check Price and Availability of V005-2669, 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 V005-2669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-2669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-2669
  • 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 V005-2669 available by request