K852-0197 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-ethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetamide

K852-0197 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-ethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetamide
K852-0197 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-ethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K852-0197
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-ethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetamide

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

K852-0197

Molecular Formula

C22H25N3O5 (C22 H25 N3 O5)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-ethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-(1-ethyl-24-dioxo-1234-tetrahydroquinazolin-3-yl)acetamide

SMILES

CCN(c(cccc1)c1C(N1CC(NCCc(cc2)cc(OC)c2OC)=O)=O)C1=O

InChI

InChI=1S/C22H25N3O5/c1-4-24-17-8-6-5-7-16(17)21(27)25(22(24)28)14-20(26)23-12-11-15-9-10-18(29-2)19(13-15)30-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,23,26)

InChI Key

QVUBBWPRCVBVKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15110870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.287

Distribution Coefficient, logD

1.287

Water Solubility, LogSw

-2.49

Polar Surface Area

70.837

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

K852-0197 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 K852-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K852-0197?
Check Price and Availability of K852-0197, 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 K852-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K852-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K852-0197
  • 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 K852-0197 available by request