K221-2572 Screening compound: methyl 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate

K221-2572 Screening compound: methyl 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
K221-2572 Screening compound: methyl 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-2572
methyl 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate

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

K221-2572

Molecular Formula

C28H32N4O7 (C28 H32 N4 O7)

Compound Name

methyl 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate

IUPAC name

methyl 3-(6-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-24-dioxo-1234-tetrahydroquinazoline-7-carboxylate

SMILES

COC(c(cc1)cc(NC(N2CCCCCC(N3CCN(Cc(cc4)cc5c4OCO5)CC3)=O)=O)c1C2=O)=O

InChI

InChI=1S/C28H32N4O7/c1-37-27(35)20-7-8-21-22(16-20)29-28(36)32(26(21)34)10-4-2-3-5-25(33)31-13-11-30(12-14-31)17-19-6-9-23-24(15-19)39-18-38-23/h6-9,15-16H,2-5,10-14,17-18H2,1H3,(H,29,36)

InChI Key

WGDFZOIOILCAMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.976

Distribution Coefficient, logD

2.631

Water Solubility, LogSw

-3.35

Polar Surface Area

98.681

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with K221-2572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-2572?
Check Price and Availability of K221-2572, 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 K221-2572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-2572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-2572
  • 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 K221-2572 available by request