V027-1405 Screening compound: 3-(6-chloro-3-pyridyl)-N~1~-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-3-(1H-indol-3-yl)propanamide

V027-1405 Screening compound: 3-(6-chloro-3-pyridyl)-N~1~-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
V027-1405 Screening compound: 3-(6-chloro-3-pyridyl)-N~1~-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-3-(1H-indol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-1405
3-(6-chloro-3-pyridyl)-N~1~-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-3-(1H-indol-3-yl)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

V027-1405

Molecular Formula

C25H22ClN3O3 (C25 H22 ClN3 O3)

Compound Name

3-(6-chloro-3-pyridyl)-N~1~-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-3-(1H-indol-3-yl)propanamide

IUPAC name

n/a

SMILES

O=C(CC(c1c[nH]c2c1cccc2)c(cc1)cnc1Cl)NCC1Oc(cccc2)c2OC1

InChI

InChI=1S/C25H22ClN3O3/c26-24-10-9-16(12-28-24)19(20-14-27-21-6-2-1-5-18(20)21)11-25(30)29-13-17-15-31-22-7-3-4-8-23(22)32-17/h1-10,12,14,17,19,27H,11,13,15H2,(H,29,30)

InChI Key

DRILBGMTKBIJCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20493022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.977

Distribution Coefficient, logD

3.977

Water Solubility, LogSw

-4.52

Polar Surface Area

58.721

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

V027-1405 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V027-1405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-1405?
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What is the minimum amount of V027-1405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-1405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-1405
  • 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 V027-1405 available by request