V025-4952 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(4-chlorophenyl)-N-(2-methoxyethyl)propanamide

V025-4952 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(4-chlorophenyl)-N-(2-methoxyethyl)propanamide
V025-4952 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(4-chlorophenyl)-N-(2-methoxyethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-4952
3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(4-chlorophenyl)-N-(2-methoxyethyl)propanamide

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

V025-4952

Molecular Formula

C27H26ClN3O4 (C27 H26 ClN3 O4)

Compound Name

3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(4-chlorophenyl)-N-(2-methoxyethyl)propanamide

IUPAC name

3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(4-chlorophenyl)-N-(2-methoxyethyl)propanamide

SMILES

COCCNC(CC(c1cn(Cc2ccccc2)c(cc2)c1cc2[N+]([O-])=O)c(cc1)ccc1Cl)=O

InChI

InChI=1S/C27H26ClN3O4/c1-35-14-13-29-27(32)16-23(20-7-9-21(28)10-8-20)25-18-30(17-19-5-3-2-4-6-19)26-12-11-22(31(33)34)15-24(25)26/h2-12,15,18,23H,13-14,16-17H2,1H3,(H,29,32)/t23-/m1/s1

InChI Key

KBYJNYWUUWSEOF-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19777909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.083

Distribution Coefficient, logD

5.083

Water Solubility, LogSw

-5.73

Polar Surface Area

67.736

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

V025-4952 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 V025-4952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-4952?
Check Price and Availability of V025-4952, 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 V025-4952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-4952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-4952
  • 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 V025-4952 available by request