K221-2970 Screening compound: 3-{5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-oxopentyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

K221-2970 Screening compound: 3-{5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-oxopentyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione
K221-2970 Screening compound: 3-{5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-oxopentyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-2970
3-{5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-oxopentyl}-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

K221-2970

Molecular Formula

C25H30N4O3 (C25 H30 N4 O3)

Compound Name

3-{5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-oxopentyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-{5-[4-(25-dimethylphenyl)piperazin-1-yl]-5-oxopentyl}-1234-tetrahydroquinazoline-24-dione

SMILES

Cc1cc(N(CC2)CCN2C(CCCCN(C(c(cccc2)c2N2)=O)C2=O)=O)c(C)cc1

InChI

InChI=1S/C25H30N4O3/c1-18-10-11-19(2)22(17-18)27-13-15-28(16-14-27)23(30)9-5-6-12-29-24(31)20-7-3-4-8-21(20)26-25(29)32/h3-4,7-8,10-11,17H,5-6,9,12-16H2,1-2H3,(H,26,32)

InChI Key

FHNDMCFHJROFJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.995

Distribution Coefficient, logD

3.994

Water Solubility, LogSw

-4.16

Polar Surface Area

59.811

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

K221-2970 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K221-2970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-2970?
Check Price and Availability of K221-2970, 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 K221-2970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-2970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-2970
  • 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 K221-2970 available by request