K415-0375 Screening compound: 3-(adamantane-1-carbonyl)-1-{4-[5-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]phenyl}thiourea

K415-0375 Screening compound: 3-(adamantane-1-carbonyl)-1-{4-[5-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]phenyl}thiourea
K415-0375 Screening compound: 3-(adamantane-1-carbonyl)-1-{4-[5-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]phenyl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K415-0375
3-(adamantane-1-carbonyl)-1-{4-[5-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]phenyl}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

K415-0375

Molecular Formula

C27H29N5OS (C27 H29 N5 OS)

Compound Name

3-(adamantane-1-carbonyl)-1-{4-[5-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]phenyl}thiourea

IUPAC name

3-(adamantane-1-carbonyl)-1-{4-[5-(4-methylphenyl)-1H-123-triazol-1-yl]phenyl}thiourea

SMILES

Cc(cc1)ccc1-c1cnnn1-c(cc1)ccc1NC(NC(C1(CC(C2)C3)CC3CC2C1)=O)=S

InChI

InChI=1S/C27H29N5OS/c1-17-2-4-21(5-3-17)24-16-28-31-32(24)23-8-6-22(7-9-23)29-26(34)30-25(33)27-13-18-10-19(14-27)12-20(11-18)15-27/h2-9,16,18-20H,10-15H2,1H3,(H2,29,30,33,34)

InChI Key

HPHYZOZFFQWQOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03976224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.882

Distribution Coefficient, logD

6.881

Water Solubility, LogSw

-5.54

Polar Surface Area

59.257

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

K415-0375 in Drug Discovery

Included in Screening Libraries

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 K415-0375 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K415-0375?
Check Price and Availability of K415-0375, 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 K415-0375 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K415-0375
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K415-0375
  • 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 K415-0375 available by request