V030-2175 Screening compound: 3-(1-methyl-1H-indol-3-yl)-3-(4-nitrophenyl)-1-(pyrrolidin-1-yl)propan-1-one

V030-2175 Screening compound: 3-(1-methyl-1H-indol-3-yl)-3-(4-nitrophenyl)-1-(pyrrolidin-1-yl)propan-1-one
V030-2175 Screening compound: 3-(1-methyl-1H-indol-3-yl)-3-(4-nitrophenyl)-1-(pyrrolidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-2175
3-(1-methyl-1H-indol-3-yl)-3-(4-nitrophenyl)-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

V030-2175

Molecular Formula

C22H23N3O3 (C22 H23 N3 O3)

Compound Name

3-(1-methyl-1H-indol-3-yl)-3-(4-nitrophenyl)-1-(pyrrolidin-1-yl)propan-1-one

IUPAC name

3-(1-methyl-1H-indol-3-yl)-3-(4-nitrophenyl)-1-(pyrrolidin-1-yl)propan-1-one

SMILES

Cn1c(cccc2)c2c(C(CC(N2CCCC2)=O)c(cc2)ccc2[N+]([O-])=O)c1

InChI

InChI=1S/C22H23N3O3/c1-23-15-20(18-6-2-3-7-21(18)23)19(14-22(26)24-12-4-5-13-24)16-8-10-17(11-9-16)25(27)28/h2-3,6-11,15,19H,4-5,12-14H2,1H3/t19-/m1/s1

InChI Key

ULAQIRKCGDMDCE-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19781227

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.918

Distribution Coefficient, logD

3.918

Water Solubility, LogSw

-3.89

Polar Surface Area

52.395

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

V030-2175 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 V030-2175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-2175?
Check Price and Availability of V030-2175, 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 V030-2175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-2175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-2175
  • 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 V030-2175 available by request