V008-2081 Screening compound: 2-({[(2,3-dimethoxyphenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide

V008-2081 Screening compound: 2-({[(2,3-dimethoxyphenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide
V008-2081 Screening compound: 2-({[(2,3-dimethoxyphenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-2081
2-({[(2,3-dimethoxyphenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazole-4-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

V008-2081

Molecular Formula

C30H31N5O4 (C30 H31 N5 O4)

Compound Name

2-({[(2,3-dimethoxyphenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide

IUPAC name

2-({[(23-dimethoxyphenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-N-[(pyridin-3-yl)methyl]-13-oxazole-4-carboxamide

SMILES

COc1cccc(CN(CCc2c[nH]c3c2cccc3)Cc2nc(C(NCc3cnccc3)=O)co2)c1OC

InChI

InChI=1S/C30H31N5O4/c1-37-27-11-5-8-23(29(27)38-2)18-35(14-12-22-17-32-25-10-4-3-9-24(22)25)19-28-34-26(20-39-28)30(36)33-16-21-7-6-13-31-15-21/h3-11,13,15,17,20,32H,12,14,16,18-19H2,1-2H3,(H,33,36)

InChI Key

BJVXRVOWJGJMHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19827164

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

525.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.472

Distribution Coefficient, logD

3.470

Water Solubility, LogSw

-3.44

Polar Surface Area

81.212

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

V008-2081 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 V008-2081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-2081?
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What is the minimum amount of V008-2081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-2081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-2081
  • 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 V008-2081 available by request