V018-8769 Screening compound: tert-butyl 3-[(2,3-dihydro-1H-inden-2-yl)amino]benzoate

V018-8769 Screening compound: tert-butyl 3-[(2,3-dihydro-1H-inden-2-yl)amino]benzoate
V018-8769 Screening compound: tert-butyl 3-[(2,3-dihydro-1H-inden-2-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-8769
tert-butyl 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

V018-8769

Molecular Formula

C20H23NO2 (C20 H23 NO2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)OC(c1cc(NC(C2)Cc3c2cccc3)ccc1)=O

InChI

InChI=1S/C20H23NO2/c1-20(2,3)23-19(22)16-9-6-10-17(13-16)21-18-11-14-7-4-5-8-15(14)12-18/h4-10,13,18,21H,11-12H2,1-3H3

InChI Key

BKGJQYPCCQFPFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19976655

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

309.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.292

Distribution Coefficient, logD

5.292

Water Solubility, LogSw

-5.47

Polar Surface Area

30.156

Acid Dissociation Constant (pKa)

20.30

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

V018-8769 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V018-8769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-8769?
Check Price and Availability of V018-8769, 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 V018-8769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-8769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-8769
  • 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 V018-8769 available by request