K038-0060 Screening compound: (E)-N-[5-(adamantan-1-yl)-2-methylphenyl]-1-(4-bromothiophen-2-yl)methanimine

K038-0060 Screening compound: (E)-N-[5-(adamantan-1-yl)-2-methylphenyl]-1-(4-bromothiophen-2-yl)methanimine
K038-0060 Screening compound: (E)-N-[5-(adamantan-1-yl)-2-methylphenyl]-1-(4-bromothiophen-2-yl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound K038-0060
(E)-N-[5-(adamantan-1-yl)-2-methylphenyl]-1-(4-bromothiophen-2-yl)methanimine

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

K038-0060

Molecular Formula

C22H24BrNS (C22 H24 BrNS)

Compound Name

(E)-N-[5-(adamantan-1-yl)-2-methylphenyl]-1-(4-bromothiophen-2-yl)methanimine

IUPAC name

(E)-N-[5-(adamantan-1-yl)-2-methylphenyl]-1-(4-bromothiophen-2-yl)methanimine

SMILES

Cc(ccc(C1(CC(C2)C3)CC3CC2C1)c1)c1/N=C/c1cc(Br)cs1

InChI

InChI=1S/C22H24BrNS/c1-14-2-3-18(7-21(14)24-12-20-8-19(23)13-25-20)22-9-15-4-16(10-22)6-17(5-15)11-22/h2-3,7-8,12-13,15-17H,4-6,9-11H2,1H3

InChI Key

POUQIFOUBPQJKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.41

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

7.760

Distribution Coefficient, logD

7.760

Water Solubility, LogSw

-5.85

Polar Surface Area

8.448

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K038-0060 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Agro:
  • Agro
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 K038-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K038-0060?
Check Price and Availability of K038-0060, 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 K038-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K038-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K038-0060
  • 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 K038-0060 available by request