8018-6610 Screening compound: N-[2-(2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethyl]adamantane-1-carboxamide

8018-6610 Screening compound: N-[2-(2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethyl]adamantane-1-carboxamide
8018-6610 Screening compound: N-[2-(2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethyl]adamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6610
N-[2-(2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethyl]adamantane-1-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

8018-6610

Molecular Formula

C20H25N3OS (C20 H25 N3 OS)

Compound Name

N-[2-(2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethyl]adamantane-1-carboxamide

IUPAC name

N-[2-(2-sulfanylidene-23-dihydro-1H-13-benzodiazol-1-yl)ethyl]adamantane-1-carboxamide

SMILES

O=C(C1(CC(C2)C3)CC3CC2C1)NCCN(c(cccc1)c1N1)C1=S

InChI

InChI=1S/C20H25N3OS/c24-18(20-10-13-7-14(11-20)9-15(8-13)12-20)21-5-6-23-17-4-2-1-3-16(17)22-19(23)25/h1-4,13-15H,5-12H2,(H,21,24)(H,22,25)

InChI Key

VZMQAIUXFRIXBO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.350

Distribution Coefficient, logD

4.350

Water Solubility, LogSw

-4.30

Polar Surface Area

38.438

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

8018-6610 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 8018-6610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6610?
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What is the minimum amount of 8018-6610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6610
  • 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 8018-6610 available by request