K038-0034 Screening compound: 3-(adamantan-1-yl)-1-[(E)-[(pyridin-4-yl)methylidene]amino]urea

K038-0034 Screening compound: 3-(adamantan-1-yl)-1-[(E)-[(pyridin-4-yl)methylidene]amino]urea
K038-0034 Screening compound: 3-(adamantan-1-yl)-1-[(E)-[(pyridin-4-yl)methylidene]amino]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound K038-0034
3-(adamantan-1-yl)-1-[(E)-[(pyridin-4-yl)methylidene]amino]urea

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

K038-0034

Molecular Formula

C17H22N4O (C17 H22 N4 O)

Compound Name

3-(adamantan-1-yl)-1-[(E)-[(pyridin-4-yl)methylidene]amino]urea

IUPAC name

3-(adamantan-1-yl)-1-[(E)-[(pyridin-4-yl)methylidene]amino]urea

SMILES

O=C(NC1(CC(C2)C3)CC3CC2C1)N/N=C/c1ccncc1

InChI

InChI=1S/C17H22N4O/c22-16(21-19-11-12-1-3-18-4-2-12)20-17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,11,13-15H,5-10H2,(H2,20,21,22)

InChI Key

HKOKBNLEHUVQNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.961

Distribution Coefficient, logD

2.961

Water Solubility, LogSw

-3.13

Polar Surface Area

55.212

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

K038-0034 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K038-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K038-0034?
Check Price and Availability of K038-0034, 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 K038-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K038-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K038-0034
  • 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 K038-0034 available by request