V016-6375 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2,5-difluorophenyl)methyl]-4-(prop-2-en-1-yloxy)-1H-indole-2-carboxamide

V016-6375 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2,5-difluorophenyl)methyl]-4-(prop-2-en-1-yloxy)-1H-indole-2-carboxamide
V016-6375 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2,5-difluorophenyl)methyl]-4-(prop-2-en-1-yloxy)-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6375
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2,5-difluorophenyl)methyl]-4-(prop-2-en-1-yloxy)-1H-indole-2-carboxamide

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

V016-6375

Molecular Formula

C27H22F2N2O4 (C27 H22 F2 N2 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2,5-difluorophenyl)methyl]-4-(prop-2-en-1-yloxy)-1H-indole-2-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-[(25-difluorophenyl)methyl]-4-(prop-2-en-1-yloxy)-1H-indole-2-carboxamide

SMILES

C=CCOc1cccc2c1cc(C(NCc(cc1)cc3c1OCO3)=O)n2Cc(cc(cc1)F)c1F

InChI

InChI=1S/C27H22F2N2O4/c1-2-10-33-24-5-3-4-22-20(24)13-23(31(22)15-18-12-19(28)7-8-21(18)29)27(32)30-14-17-6-9-25-26(11-17)35-16-34-25/h2-9,11-13H,1,10,14-16H2,(H,30,32)

InChI Key

FCCYKENRLRCHHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14247882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.329

Distribution Coefficient, logD

6.329

Water Solubility, LogSw

-6.15

Polar Surface Area

49.726

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

V016-6375 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 V016-6375 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6375?
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What is the minimum amount of V016-6375 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6375
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6375
  • 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 V016-6375 available by request