K221-2388 Screening compound: 3-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

K221-2388 Screening compound: 3-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione
K221-2388 Screening compound: 3-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K221-2388
3-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-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

K221-2388

Molecular Formula

C21H21ClN4O3 (C21 H21 ClN4 O3)

Compound Name

3-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-1234-tetrahydroquinazoline-24-dione

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(CN(C(c(cccc1)c1N1)=O)C1=O)=O

InChI

InChI=1S/C21H21ClN4O3/c1-14-6-7-15(22)12-18(14)24-8-10-25(11-9-24)19(27)13-26-20(28)16-4-2-3-5-17(16)23-21(26)29/h2-7,12H,8-11,13H2,1H3,(H,23,29)

InChI Key

DBUKAIUDLDDVNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.296

Distribution Coefficient, logD

3.296

Water Solubility, LogSw

-3.78

Polar Surface Area

59.832

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K221-2388 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K221-2388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K221-2388?
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What is the minimum amount of K221-2388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K221-2388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K221-2388
  • 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 K221-2388 available by request