Y204-0210 Screening compound: N~5~-(1-adamantyl)-1,3-benzodioxole-5-carboxamide

Y204-0210 Screening compound: N~5~-(1-adamantyl)-1,3-benzodioxole-5-carboxamide
Y204-0210 Screening compound: N~5~-(1-adamantyl)-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y204-0210
N~5~-(1-adamantyl)-1,3-benzodioxole-5-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

Y204-0210

Molecular Formula

C18H21NO3 (C18 H21 NO3)

Compound Name

N~5~-(1-adamantyl)-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(adamantan-1-yl)-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)NC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C18H21NO3/c20-17(14-1-2-15-16(6-14)22-10-21-15)19-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2,(H,19,20)

InChI Key

VRESHOVMDCONOA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.722

Distribution Coefficient, logD

3.722

Water Solubility, LogSw

-4.24

Polar Surface Area

41.463

Acid Dissociation Constant (pKa)

13.89

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

Y204-0210 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y204-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y204-0210?
Check Price and Availability of Y204-0210, 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 Y204-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y204-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y204-0210
  • 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 Y204-0210 available by request