V029-1581 Screening compound: 3-(5-chloro-1H-indol-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

V029-1581 Screening compound: 3-(5-chloro-1H-indol-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
V029-1581 Screening compound: 3-(5-chloro-1H-indol-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-1581
3-(5-chloro-1H-indol-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-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

V029-1581

Molecular Formula

C19H17ClN2O3 (C19 H17 ClN2 O3)

Compound Name

3-(5-chloro-1H-indol-3-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

IUPAC name

n/a

SMILES

NC(CC(c1c[nH]c(cc2)c1cc2Cl)c(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C19H17ClN2O3/c20-12-2-3-16-14(8-12)15(10-22-16)13(9-19(21)23)11-1-4-17-18(7-11)25-6-5-24-17/h1-4,7-8,10,13,22H,5-6,9H2,(H2,21,23)/t13-/m1/s1

InChI Key

PDDVCEILFGTEMD-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD19779680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.847

Distribution Coefficient, logD

2.847

Water Solubility, LogSw

-3.56

Polar Surface Area

59.049

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

V029-1581 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Indole Derivatives (10091 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V029-1581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-1581?
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What is the minimum amount of V029-1581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-1581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-1581
  • 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 V029-1581 available by request