D451-1382 Screening compound: 1-(2,3-dimethylphenyl)-3-methyl-3-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]urea

D451-1382 Screening compound: 1-(2,3-dimethylphenyl)-3-methyl-3-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]urea
D451-1382 Screening compound: 1-(2,3-dimethylphenyl)-3-methyl-3-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D451-1382
1-(2,3-dimethylphenyl)-3-methyl-3-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]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

D451-1382

Molecular Formula

C20H21N3O2 (C20 H21 N3 O2)

Compound Name

1-(2,3-dimethylphenyl)-3-methyl-3-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]urea

IUPAC name

1-(23-dimethylphenyl)-3-methyl-3-[(2-oxo-12-dihydroquinolin-4-yl)methyl]urea

SMILES

Cc1cccc(NC(N(C)CC(c(cccc2)c2N2)=CC2=O)=O)c1C

InChI

InChI=1S/C20H21N3O2/c1-13-7-6-10-17(14(13)2)22-20(25)23(3)12-15-11-19(24)21-18-9-5-4-8-16(15)18/h4-11H,12H2,1-3H3,(H,21,24)(H,22,25)

InChI Key

YVUIRCNYTULQRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.703

Distribution Coefficient, logD

3.702

Water Solubility, LogSw

-3.95

Polar Surface Area

49.333

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D451-1382 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with D451-1382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D451-1382?
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What is the minimum amount of D451-1382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D451-1382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D451-1382
  • 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 D451-1382 available by request