D090-0094 Screening compound: 5-(adamantan-1-yl)-3-[(dibenzylamino)methyl]benzene-1,2-diol

D090-0094 Screening compound: 5-(adamantan-1-yl)-3-[(dibenzylamino)methyl]benzene-1,2-diol
D090-0094 Screening compound: 5-(adamantan-1-yl)-3-[(dibenzylamino)methyl]benzene-1,2-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound D090-0094
5-(adamantan-1-yl)-3-[(dibenzylamino)methyl]benzene-1,2-diol

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

D090-0094

Molecular Formula

C31H35NO2 (C31 H35 NO2)

Compound Name

5-(adamantan-1-yl)-3-[(dibenzylamino)methyl]benzene-1,2-diol

IUPAC name

5-(adamantan-1-yl)-3-[(dibenzylamino)methyl]benzene-12-diol

SMILES

Oc(cc(C1(CC(C2)C3)CC3CC2C1)cc1CN(Cc2ccccc2)Cc2ccccc2)c1O

InChI

InChI=1S/C31H35NO2/c33-29-15-28(31-16-24-11-25(17-31)13-26(12-24)18-31)14-27(30(29)34)21-32(19-22-7-3-1-4-8-22)20-23-9-5-2-6-10-23/h1-10,14-15,24-26,33-34H,11-13,16-21H2

InChI Key

NOYWKGMWVHQTCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04021638

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

453.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.581

Distribution Coefficient, logD

5.191

Water Solubility, LogSw

-6.05

Polar Surface Area

35.468

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

9.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

D090-0094 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D090-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D090-0094?
Check Price and Availability of D090-0094, 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 D090-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D090-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D090-0094
  • 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 D090-0094 available by request