D216-0873 Screening compound: 1-CYCLOHEPTYL-3-(6-METHYL-4-OXO-1,4-DIHYDROQUINOLIN-3-YL)UREA

D216-0873 Screening compound: 1-CYCLOHEPTYL-3-(6-METHYL-4-OXO-1,4-DIHYDROQUINOLIN-3-YL)UREA
D216-0873 Screening compound: 1-CYCLOHEPTYL-3-(6-METHYL-4-OXO-1,4-DIHYDROQUINOLIN-3-YL)UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0873
1-CYCLOHEPTYL-3-(6-METHYL-4-OXO-1,4-DIHYDROQUINOLIN-3-YL)UREA

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

D216-0873

Molecular Formula

C18H23N3O2 (C18 H23 N3 O2)

Compound Name

1-CYCLOHEPTYL-3-(6-METHYL-4-OXO-1,4-DIHYDROQUINOLIN-3-YL)UREA

IUPAC name

1-cycloheptyl-3-(6-methyl-4-oxo-14-dihydroquinolin-3-yl)urea

SMILES

Cc(cc1)cc(C2=O)c1NC=C2NC(NC1CCCCCC1)=O

InChI

InChI=1S/C18H23N3O2/c1-12-8-9-15-14(10-12)17(22)16(11-19-15)21-18(23)20-13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,19,22)(H2,20,21,23)

InChI Key

HZCDKWSQBXWBDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.698

Distribution Coefficient, logD

3.679

Water Solubility, LogSw

-3.90

Polar Surface Area

59.003

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

-3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D216-0873 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 D216-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0873?
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What is the minimum amount of D216-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0873
  • 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 D216-0873 available by request