V031-2136 Screening compound: methyl 3-[(2,3-dihydro-1H-inden-2-yl)amino]benzoate

V031-2136 Screening compound: methyl 3-[(2,3-dihydro-1H-inden-2-yl)amino]benzoate
V031-2136 Screening compound: methyl 3-[(2,3-dihydro-1H-inden-2-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2136
methyl 3-[(2,3-dihydro-1H-inden-2-yl)amino]benzoate

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

V031-2136

Molecular Formula

C17H17NO2 (C17 H17 NO2)

Compound Name

methyl 3-[(2,3-dihydro-1H-inden-2-yl)amino]benzoate

IUPAC name

methyl 3-[(23-dihydro-1H-inden-2-yl)amino]benzoate

SMILES

COC(c1cc(NC(C2)Cc3c2cccc3)ccc1)=O

InChI

InChI=1S/C17H17NO2/c1-20-17(19)14-7-4-8-15(11-14)18-16-9-12-5-2-3-6-13(12)10-16/h2-8,11,16,18H,9-10H2,1H3

InChI Key

NJVYYAWDXANVQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12677714

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

267.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.389

Distribution Coefficient, logD

4.389

Water Solubility, LogSw

-4.43

Polar Surface Area

31.467

Acid Dissociation Constant (pKa)

20.30

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

V031-2136 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V031-2136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2136?
Check Price and Availability of V031-2136, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V031-2136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2136
  • 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 V031-2136 available by request