5402-0537 Screening compound: 2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanyl]ethyl N-(3,4-dichlorophenyl)carbamate

5402-0537 Screening compound: 2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanyl]ethyl N-(3,4-dichlorophenyl)carbamate
5402-0537 Screening compound: 2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanyl]ethyl N-(3,4-dichlorophenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5402-0537
2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanyl]ethyl N-(3,4-dichlorophenyl)carbamate

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

5402-0537

Molecular Formula

C19H17Cl2N3O3S (C19 H17 Cl2 N3 O3 S)

Compound Name

2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanyl]ethyl N-(3,4-dichlorophenyl)carbamate

IUPAC name

2-[(6-methoxy-4-methylquinazolin-2-yl)sulfanyl]ethyl N-(34-dichlorophenyl)carbamate

SMILES

Cc(c1c2)nc(SCCOC(Nc(cc3)cc(Cl)c3Cl)=O)nc1ccc2OC

InChI

InChI=1S/C19H17Cl2N3O3S/c1-11-14-10-13(26-2)4-6-17(14)24-18(22-11)28-8-7-27-19(25)23-12-3-5-15(20)16(21)9-12/h3-6,9-10H,7-8H2,1-2H3,(H,23,25)

InChI Key

MLPRXLJZRUJSJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03286469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.835

Distribution Coefficient, logD

5.774

Water Solubility, LogSw

-6.07

Polar Surface Area

56.834

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

5402-0537 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 5402-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5402-0537?
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What is the minimum amount of 5402-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5402-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5402-0537
  • 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 5402-0537 available by request