5645-0521 Screening compound: 6-ethyl-2-[(imino{[(4-methylphenyl)sulfonyl]amino}methyl)amino]-4-methylquinazoline

5645-0521 Screening compound: 6-ethyl-2-[(imino{[(4-methylphenyl)sulfonyl]amino}methyl)amino]-4-methylquinazoline
5645-0521 Screening compound: 6-ethyl-2-[(imino{[(4-methylphenyl)sulfonyl]amino}methyl)amino]-4-methylquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5645-0521
6-ethyl-2-[(imino{[(4-methylphenyl)sulfonyl]amino}methyl)amino]-4-methylquinazoline

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

5645-0521

Molecular Formula

C19H21N5O2S (C19 H21 N5 O2 S)

Compound Name

6-ethyl-2-[(imino{[(4-methylphenyl)sulfonyl]amino}methyl)amino]-4-methylquinazoline

IUPAC name

n/a

SMILES

CCc1ccc2nc(NC(NS(c3ccc(C)cc3)(=O)=O)=N)nc(C)c2c1

InChI

InChI=1S/C19H21N5O2S/c1-4-14-7-10-17-16(11-14)13(3)21-19(22-17)23-18(20)24-27(25,26)15-8-5-12(2)6-9-15/h5-11H,4H2,1-3H3,(H3,20,21,22,23,24)

InChI Key

LYEDLVCZHCZXSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03490350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.973

Distribution Coefficient, logD

3.973

Water Solubility, LogSw

-3.97

Polar Surface Area

88.580

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

7.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

5645-0521 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5645-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5645-0521?
Check Price and Availability of 5645-0521, 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 5645-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5645-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5645-0521
  • 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 5645-0521 available by request