V010-1106 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)propanamide

V010-1106 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)propanamide
V010-1106 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-1106
3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)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

V010-1106

Molecular Formula

C28H29FN4O3 (C28 H29 FN4 O3)

Compound Name

3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)propanamide

IUPAC name

3-(1-benzyl-5-nitro-1H-indol-3-yl)-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)propanamide

SMILES

CN(C)CCNC(CC(c1cn(Cc2ccccc2)c(cc2)c1cc2[N+]([O-])=O)c(cc1)ccc1F)=O

InChI

InChI=1S/C28H29FN4O3/c1-31(2)15-14-30-28(34)17-24(21-8-10-22(29)11-9-21)26-19-32(18-20-6-4-3-5-7-20)27-13-12-23(33(35)36)16-25(26)27/h3-13,16,19,24H,14-15,17-18H2,1-2H3,(H,30,34)/t24-/m1/s1

InChI Key

JWMJXJLMJZTPOR-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19848867

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.56

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

4.360

Distribution Coefficient, logD

2.815

Water Solubility, LogSw

-4.15

Polar Surface Area

63.259

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

8.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V010-1106 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V010-1106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-1106?
Check Price and Availability of V010-1106, 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 V010-1106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-1106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-1106
  • 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 V010-1106 available by request