V025-4971 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(4-chlorophenyl)-N-(2-methylpropyl)propanamide

V025-4971 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(4-chlorophenyl)-N-(2-methylpropyl)propanamide
V025-4971 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(4-chlorophenyl)-N-(2-methylpropyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-4971
3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(4-chlorophenyl)-N-(2-methylpropyl)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

V025-4971

Molecular Formula

C28H28ClN3O3 (C28 H28 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C28H28ClN3O3/c1-19(2)16-30-28(33)15-24(21-8-10-22(29)11-9-21)26-18-31(17-20-6-4-3-5-7-20)27-13-12-23(32(34)35)14-25(26)27/h3-14,18-19,24H,15-17H2,1-2H3,(H,30,33)/t24-/m1/s1

InChI Key

JAKRKXZSYNSAGV-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19781498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.239

Distribution Coefficient, logD

6.239

Water Solubility, LogSw

-6.37

Polar Surface Area

59.552

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V025-4971 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V025-4971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-4971?
Check Price and Availability of V025-4971, 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 V025-4971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-4971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-4971
  • 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 V025-4971 available by request