K852-0056 Screening compound: 3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-1-methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione

K852-0056 Screening compound: 3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-1-methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
K852-0056 Screening compound: 3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-1-methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K852-0056
3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-1-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

K852-0056

Molecular Formula

C21H21ClN4O3 (C21 H21 ClN4 O3)

Compound Name

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

IUPAC name

3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-1-methyl-1234-tetrahydroquinazoline-24-dione

SMILES

CN(c(cccc1)c1C(N1CC(N(CC2)CCN2c2cccc(Cl)c2)=O)=O)C1=O

InChI

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

InChI Key

FDNPWFXHQPSHSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15110864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.049

Distribution Coefficient, logD

2.049

Water Solubility, LogSw

-3.08

Polar Surface Area

50.957

Acid Dissociation Constant (pKa)

23.80

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K852-0056 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K852-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K852-0056?
Check Price and Availability of K852-0056, 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 K852-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K852-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K852-0056
  • 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 K852-0056 available by request