V031-1167 Screening compound: N-(3-{2-[(cyclopropylmethyl)(propyl)amino]ethyl}-1H-indol-5-yl)-3,5-difluorobenzamide

V031-1167 Screening compound: N-(3-{2-[(cyclopropylmethyl)(propyl)amino]ethyl}-1H-indol-5-yl)-3,5-difluorobenzamide
V031-1167 Screening compound: N-(3-{2-[(cyclopropylmethyl)(propyl)amino]ethyl}-1H-indol-5-yl)-3,5-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1167
N-(3-{2-[(cyclopropylmethyl)(propyl)amino]ethyl}-1H-indol-5-yl)-3,5-difluorobenzamide

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

V031-1167

Molecular Formula

C24H27F2N3O (C24 H27 F2 N3 O)

Compound Name

N-(3-{2-[(cyclopropylmethyl)(propyl)amino]ethyl}-1H-indol-5-yl)-3,5-difluorobenzamide

IUPAC name

N-(3-{2-[(cyclopropylmethyl)(propyl)amino]ethyl}-1H-indol-5-yl)-35-difluorobenzamide

SMILES

CCCN(CCc1c[nH]c(cc2)c1cc2NC(c1cc(F)cc(F)c1)=O)CC1CC1

InChI

InChI=1S/C24H27F2N3O/c1-2-8-29(15-16-3-4-16)9-7-17-14-27-23-6-5-21(13-22(17)23)28-24(30)18-10-19(25)12-20(26)11-18/h5-6,10-14,16,27H,2-4,7-9,15H2,1H3,(H,28,30)

InChI Key

XKNRMFNTLYAETI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19943400

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

411.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.390

Distribution Coefficient, logD

2.000

Water Solubility, LogSw

-5.54

Polar Surface Area

37.392

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

10.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V031-1167 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V031-1167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1167?
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What is the minimum amount of V031-1167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1167
  • 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 V031-1167 available by request