K221-3076 Screening compound: 6,7-diethoxy-3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

K221-3076 Screening compound: 6,7-diethoxy-3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione
K221-3076 Screening compound: 6,7-diethoxy-3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-3076
6,7-diethoxy-3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-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

K221-3076

Molecular Formula

C27H34N4O6 (C27 H34 N4 O6)

Compound Name

6,7-diethoxy-3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

67-diethoxy-3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-1234-tetrahydroquinazoline-24-dione

SMILES

CCOc(c(OCC)c1)cc(C(N2CCCC(N(CC3)CCN3c(cccc3)c3OC)=O)=O)c1NC2=O

InChI

InChI=1S/C27H34N4O6/c1-4-36-23-17-19-20(18-24(23)37-5-2)28-27(34)31(26(19)33)12-8-11-25(32)30-15-13-29(14-16-30)21-9-6-7-10-22(21)35-3/h6-7,9-10,17-18H,4-5,8,11-16H2,1-3H3,(H,28,34)

InChI Key

HUZHAEDBSNHONH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.195

Distribution Coefficient, logD

2.179

Water Solubility, LogSw

-3.06

Polar Surface Area

81.861

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with K221-3076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-3076?
Check Price and Availability of K221-3076, 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 K221-3076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-3076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-3076
  • 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 K221-3076 available by request