V029-4021 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(2-chlorophenyl)-1-(pyrrolidin-1-yl)propan-1-one

V029-4021 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(2-chlorophenyl)-1-(pyrrolidin-1-yl)propan-1-one
V029-4021 Screening compound: 3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(2-chlorophenyl)-1-(pyrrolidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4021
3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(2-chlorophenyl)-1-(pyrrolidin-1-yl)propan-1-one

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

V029-4021

Molecular Formula

C28H26ClN3O3 (C28 H26 ClN3 O3)

Compound Name

3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(2-chlorophenyl)-1-(pyrrolidin-1-yl)propan-1-one

IUPAC name

3-(1-benzyl-5-nitro-1H-indol-3-yl)-3-(2-chlorophenyl)-1-(pyrrolidin-1-yl)propan-1-one

SMILES

[O-][N+](c(cc1)cc2c1n(Cc1ccccc1)cc2C(CC(N1CCCC1)=O)c(cccc1)c1Cl)=O

InChI

InChI=1S/C28H26ClN3O3/c29-26-11-5-4-10-22(26)23(17-28(33)30-14-6-7-15-30)25-19-31(18-20-8-2-1-3-9-20)27-13-12-21(32(34)35)16-24(25)27/h1-5,8-13,16,19,23H,6-7,14-15,17-18H2/t23-/m1/s1

InChI Key

UHQXPLMUYPHYPE-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19781505

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

487.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.154

Distribution Coefficient, logD

6.154

Water Solubility, LogSw

-6.21

Polar Surface Area

51.567

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V029-4021 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V029-4021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4021?
Check Price and Availability of V029-4021, 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 V029-4021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4021
  • 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 V029-4021 available by request