L878-0531 Screening compound: N-(3-chloro-4-methylphenyl)-2-(2-oxo-4-{[(thiophen-2-yl)methyl]amino}-1,2-dihydroquinazolin-1-yl)acetamide

L878-0531 Screening compound: N-(3-chloro-4-methylphenyl)-2-(2-oxo-4-{[(thiophen-2-yl)methyl]amino}-1,2-dihydroquinazolin-1-yl)acetamide
L878-0531 Screening compound: N-(3-chloro-4-methylphenyl)-2-(2-oxo-4-{[(thiophen-2-yl)methyl]amino}-1,2-dihydroquinazolin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L878-0531
N-(3-chloro-4-methylphenyl)-2-(2-oxo-4-{[(thiophen-2-yl)methyl]amino}-1,2-dihydroquinazolin-1-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

L878-0531

Molecular Formula

C22H19ClN4O2S (C22 H19 ClN4 O2 S)

Compound Name

N-(3-chloro-4-methylphenyl)-2-(2-oxo-4-{[(thiophen-2-yl)methyl]amino}-1,2-dihydroquinazolin-1-yl)acetamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-(2-oxo-4-{[(thiophen-2-yl)methyl]amino}-12-dihydroquinazolin-1-yl)acetamide

SMILES

Cc(ccc(NC(CN(c(cccc1)c1C(NCc1cccs1)=N1)C1=O)=O)c1)c1Cl

InChI

InChI=1S/C22H19ClN4O2S/c1-14-8-9-15(11-18(14)23)25-20(28)13-27-19-7-3-2-6-17(19)21(26-22(27)29)24-12-16-5-4-10-30-16/h2-11H,12-13H2,1H3,(H,25,28)(H,24,26,29)

InChI Key

WKRMXHAEAVWZMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27483622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.612

Distribution Coefficient, logD

4.545

Water Solubility, LogSw

-4.69

Polar Surface Area

59.344

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L878-0531 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L878-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L878-0531?
Check Price and Availability of L878-0531, 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 L878-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L878-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L878-0531
  • 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 L878-0531 available by request