K221-3028 Screening compound: 3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-6,7-diethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione

K221-3028 Screening compound: 3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-6,7-diethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione
K221-3028 Screening compound: 3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-6,7-diethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-3028
3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-6,7-diethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

K221-3028

Molecular Formula

C30H31ClN4O5 (C30 H31 ClN4 O5)

Compound Name

3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-6,7-diethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-67-diethoxy-1234-tetrahydroquinazoline-24-dione

SMILES

CCOc(c(OCC)c1)cc(C(N2Cc(cc3)ccc3C(N(CC3)CCN3c3cccc(Cl)c3)=O)=O)c1NC2=O

InChI

InChI=1S/C30H31ClN4O5/c1-3-39-26-17-24-25(18-27(26)40-4-2)32-30(38)35(29(24)37)19-20-8-10-21(11-9-20)28(36)34-14-12-33(13-15-34)23-7-5-6-22(31)16-23/h5-11,16-18H,3-4,12-15,19H2,1-2H3,(H,32,38)

InChI Key

LNXSFUWYHPYSKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.05

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.047

Distribution Coefficient, logD

4.042

Water Solubility, LogSw

-4.35

Polar Surface Area

74.809

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

K221-3028 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K221-3028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-3028?
Check Price and Availability of K221-3028, 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 K221-3028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-3028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-3028
  • 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 K221-3028 available by request