8013-7328 Screening compound: N-(1-adamantyl)-N'-tetrahydro-2-furanylmethylthiourea

8013-7328 Screening compound: N-(1-adamantyl)-N'-tetrahydro-2-furanylmethylthiourea
8013-7328 Screening compound: N-(1-adamantyl)-N'-tetrahydro-2-furanylmethylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7328
N-(1-adamantyl)-N'-tetrahydro-2-furanylmethylthiourea

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

8013-7328

Molecular Formula

C16H26N2OS (C16 H26 N2 OS)

Compound Name

N-(1-adamantyl)-N'-tetrahydro-2-furanylmethylthiourea

IUPAC name

1-(adamantan-1-yl)-3-[(oxolan-2-yl)methyl]thiourea

SMILES

S=C(NCC1OCCC1)NC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C16H26N2OS/c20-15(17-10-14-2-1-3-19-14)18-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-14H,1-10H2,(H2,17,18,20)/t11?,12?,13?,14-,16?/m1/s1

InChI Key

PUKFJVVJDONKFK-MHCOZEDOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

2.845

Water Solubility, LogSw

-3.17

Polar Surface Area

30.055

Acid Dissociation Constant (pKa)

16.63

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

93.75

8013-7328 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 8013-7328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7328?
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What is the minimum amount of 8013-7328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7328
  • 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 8013-7328 available by request