V029-3035 Screening compound: 3-(5-chloro-1H-indol-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-5-methylhexanamide

V029-3035 Screening compound: 3-(5-chloro-1H-indol-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-5-methylhexanamide
V029-3035 Screening compound: 3-(5-chloro-1H-indol-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-5-methylhexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-3035
3-(5-chloro-1H-indol-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-5-methylhexanamide

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

V029-3035

Molecular Formula

C24H27ClN2O3 (C24 H27 ClN2 O3)

Compound Name

3-(5-chloro-1H-indol-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-5-methylhexanamide

IUPAC name

3-(5-chloro-1H-indol-3-yl)-N-[(23-dihydro-14-benzodioxin-2-yl)methyl]-5-methylhexanamide

SMILES

CC(C)CC(CC(NCC1Oc(cccc2)c2OC1)=O)c1c[nH]c(cc2)c1cc2Cl

InChI

InChI=1S/C24H27ClN2O3/c1-15(2)9-16(20-13-26-21-8-7-17(25)11-19(20)21)10-24(28)27-12-18-14-29-22-5-3-4-6-23(22)30-18/h3-8,11,13,15-16,18,26H,9-10,12,14H2,1-2H3,(H,27,28)

InChI Key

FZCQRPFHFKKGTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20493084

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

426.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.334

Distribution Coefficient, logD

5.334

Water Solubility, LogSw

-5.98

Polar Surface Area

49.989

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

V029-3035 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 V029-3035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3035?
Check Price and Availability of V029-3035, 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 V029-3035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3035
  • 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 V029-3035 available by request