1291-5258 Screening compound: 3-(3,5-dimethyladamantane-1-carbonyl)-1-(4-methylphenyl)thiourea

1291-5258 Screening compound: 3-(3,5-dimethyladamantane-1-carbonyl)-1-(4-methylphenyl)thiourea
1291-5258 Screening compound: 3-(3,5-dimethyladamantane-1-carbonyl)-1-(4-methylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1291-5258
3-(3,5-dimethyladamantane-1-carbonyl)-1-(4-methylphenyl)thiourea

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

1291-5258

Molecular Formula

C21H28N2OS (C21 H28 N2 OS)

Compound Name

3-(3,5-dimethyladamantane-1-carbonyl)-1-(4-methylphenyl)thiourea

IUPAC name

3-(35-dimethyladamantane-1-carbonyl)-1-(4-methylphenyl)thiourea

SMILES

CC(CC(C1)C2)(CC1(C)C1)CC12C(NC(Nc1ccc(C)cc1)=S)=O

InChI

InChI=1S/C21H28N2OS/c1-14-4-6-16(7-5-14)22-18(25)23-17(24)21-10-15-8-19(2,12-21)11-20(3,9-15)13-21/h4-7,15H,8-13H2,1-3H3,(H2,22,23,24,25)

InChI Key

YFDHSYLOSKBZMO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.741

Distribution Coefficient, logD

5.740

Water Solubility, LogSw

-5.52

Polar Surface Area

33.273

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

References: we are preparing a list of scientific research reports with 1291-5258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1291-5258?
Check Price and Availability of 1291-5258, 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 1291-5258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1291-5258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1291-5258
  • 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 1291-5258 available by request