K284-4101 Screening compound: N-[1-(adamantan-1-yl)ethyl]-4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide

K284-4101 Screening compound: N-[1-(adamantan-1-yl)ethyl]-4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide
K284-4101 Screening compound: N-[1-(adamantan-1-yl)ethyl]-4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4101
N-[1-(adamantan-1-yl)ethyl]-4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide

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

K284-4101

Molecular Formula

C24H30BrN3O2S (C24 H30 BrN3 O2 S)

Compound Name

N-[1-(adamantan-1-yl)ethyl]-4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide

IUPAC name

N-[1-(adamantan-1-yl)ethyl]-4-(6-bromo-4-oxo-2-sulfanylidene-1234-tetrahydroquinazolin-3-yl)butanamide

SMILES

CC(C1(CC(C2)C3)CC3CC2C1)NC(CCCN(C(c(cc(cc1)Br)c1N1)=O)C1=S)=O

InChI

InChI=1S/C24H30BrN3O2S/c1-14(24-11-15-7-16(12-24)9-17(8-15)13-24)26-21(29)3-2-6-28-22(30)19-10-18(25)4-5-20(19)27-23(28)31/h4-5,10,14-17H,2-3,6-9,11-13H2,1H3,(H,26,29)(H,27,31)/t14-,15?,16?,17?,24?/m0/s1

InChI Key

VZNRKMJQJWEBRG-IOAHRDFVSA-N

MDL Number (MFCD)

MFCD15141900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.832

Distribution Coefficient, logD

4.767

Water Solubility, LogSw

-4.47

Polar Surface Area

50.964

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

K284-4101 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K284-4101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4101?
Check Price and Availability of K284-4101, 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 K284-4101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4101
  • 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 K284-4101 available by request