K221-3358 Screening compound: 6,7-diethoxy-3-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]cyclohexyl}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

K221-3358 Screening compound: 6,7-diethoxy-3-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]cyclohexyl}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
K221-3358 Screening compound: 6,7-diethoxy-3-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]cyclohexyl}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-3358
6,7-diethoxy-3-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]cyclohexyl}methyl)-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

K221-3358

Molecular Formula

C29H37N5O5 (C29 H37 N5 O5)

Compound Name

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

IUPAC name

67-diethoxy-3-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]cyclohexyl}methyl)-1234-tetrahydroquinazoline-24-dione

SMILES

CCOc(c(OCC)c1)cc(C(N2CC(CC3)CCC3C(N(CC3)CCN3c3ncccc3)=O)=O)c1NC2=O

InChI

InChI=1S/C29H37N5O5/c1-3-38-24-17-22-23(18-25(24)39-4-2)31-29(37)34(28(22)36)19-20-8-10-21(11-9-20)27(35)33-15-13-32(14-16-33)26-7-5-6-12-30-26/h5-7,12,17-18,20-21H,3-4,8-11,13-16,19H2,1-2H3,(H,31,37)

InChI Key

AMIWQKUPYTUFKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.888

Distribution Coefficient, logD

3.863

Water Solubility, LogSw

-3.87

Polar Surface Area

83.513

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.70

K221-3358 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K221-3358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-3358?
Check Price and Availability of K221-3358, 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 K221-3358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-3358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-3358
  • 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 K221-3358 available by request