K221-3382 Screening compound: 6,7-diethoxy-3-({4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

K221-3382 Screening compound: 6,7-diethoxy-3-({4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
K221-3382 Screening compound: 6,7-diethoxy-3-({4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-3382
6,7-diethoxy-3-({4-[4-(2-methoxyphenyl)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

K221-3382

Molecular Formula

C31H40N4O6 (C31 H40 N4 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOc(c(OCC)c1)cc(C(N2CC(CC3)CCC3C(N(CC3)CCN3c(cccc3)c3OC)=O)=O)c1NC2=O

InChI

InChI=1S/C31H40N4O6/c1-4-40-27-18-23-24(19-28(27)41-5-2)32-31(38)35(30(23)37)20-21-10-12-22(13-11-21)29(36)34-16-14-33(15-17-34)25-8-6-7-9-26(25)39-3/h6-9,18-19,21-22H,4-5,10-17,20H2,1-3H3,(H,32,38)

InChI Key

UOYSDYFSOYZWSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15082320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.221

Distribution Coefficient, logD

4.205

Water Solubility, LogSw

-4.17

Polar Surface Area

82.331

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.60

References: we are preparing a list of scientific research reports with K221-3382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-3382?
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What is the minimum amount of K221-3382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-3382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-3382
  • 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 K221-3382 available by request