V001-8964 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-N~1~-cyclopropyl-3-phenylpropanamide

V001-8964 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-N~1~-cyclopropyl-3-phenylpropanamide
V001-8964 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-N~1~-cyclopropyl-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-8964
3-(1-benzyl-5-nitro-1H-indol-3-yl)-N~1~-cyclopropyl-3-phenylpropanamide

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

V001-8964

Molecular Formula

C27H25N3O3 (C27 H25 N3 O3)

Compound Name

3-(1-benzyl-5-nitro-1H-indol-3-yl)-N~1~-cyclopropyl-3-phenylpropanamide

IUPAC name

n/a

SMILES

[O-][N+](c(cc1)cc2c1n(Cc1ccccc1)cc2C(CC(NC1CC1)=O)c1ccccc1)=O

InChI

InChI=1S/C27H25N3O3/c31-27(28-21-11-12-21)16-23(20-9-5-2-6-10-20)25-18-29(17-19-7-3-1-4-8-19)26-14-13-22(30(32)33)15-24(25)26/h1-10,13-15,18,21,23H,11-12,16-17H2,(H,28,31)/t23-/m1/s1

InChI Key

SFUYPDUORAZHRI-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19848820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.338

Distribution Coefficient, logD

5.338

Water Solubility, LogSw

-5.66

Polar Surface Area

59.337

Acid Dissociation Constant (pKa)

12.64

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

V001-8964 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 V001-8964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-8964?
Check Price and Availability of V001-8964, 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 V001-8964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-8964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-8964
  • 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 V001-8964 available by request