K221-2757 Screening compound: 3-{4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

K221-2757 Screening compound: 3-{4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione
K221-2757 Screening compound: 3-{4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-2757
3-{4-[4-(4-chlorophenyl)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

K221-2757

Molecular Formula

C22H23ClN4O3 (C22 H23 ClN4 O3)

Compound Name

3-{4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-{4-[4-(4-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-1234-tetrahydroquinazoline-24-dione

SMILES

O=C(CCCN(C(c(cccc1)c1N1)=O)C1=O)N(CC1)CCN1c(cc1)ccc1Cl

InChI

InChI=1S/C22H23ClN4O3/c23-16-7-9-17(10-8-16)25-12-14-26(15-13-25)20(28)6-3-11-27-21(29)18-4-1-2-5-19(18)24-22(27)30/h1-2,4-5,7-10H,3,6,11-15H2,(H,24,30)

InChI Key

UPDLQQAENCNJCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12213791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.039

Distribution Coefficient, logD

3.039

Water Solubility, LogSw

-3.88

Polar Surface Area

60.111

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

K221-2757 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K221-2757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-2757?
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What is the minimum amount of K221-2757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-2757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-2757
  • 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 K221-2757 available by request