V009-1727 Screening compound: N-[1-(4-cyclopropanecarbonyl-3-methylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-nitrobenzamide

V009-1727 Screening compound: N-[1-(4-cyclopropanecarbonyl-3-methylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-nitrobenzamide
V009-1727 Screening compound: N-[1-(4-cyclopropanecarbonyl-3-methylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-1727
N-[1-(4-cyclopropanecarbonyl-3-methylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-nitrobenzamide

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

V009-1727

Molecular Formula

C27H29N5O5 (C27 H29 N5 O5)

Compound Name

N-[1-(4-cyclopropanecarbonyl-3-methylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-nitrobenzamide

IUPAC name

N-[1-(4-cyclopropanecarbonyl-3-methylpiperazin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-nitrobenzamide

SMILES

CC(CN(CC1)C(C(Cc2c[nH]c3c2cccc3)NC(c(cc2)ccc2[N+]([O-])=O)=O)=O)N1C(C1CC1)=O

InChI

InChI=1S/C27H29N5O5/c1-17-16-30(12-13-31(17)26(34)19-6-7-19)27(35)24(14-20-15-28-23-5-3-2-4-22(20)23)29-25(33)18-8-10-21(11-9-18)32(36)37/h2-5,8-11,15,17,19,24,28H,6-7,12-14,16H2,1H3,(H,29,33)

InChI Key

MJHVLZFVVJMVRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01383540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.109

Distribution Coefficient, logD

3.108

Water Solubility, LogSw

-3.29

Polar Surface Area

100.380

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.00

V009-1727 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V009-1727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-1727?
Check Price and Availability of V009-1727, 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 V009-1727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-1727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-1727
  • 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 V009-1727 available by request