5594-3000 Screening compound: methyl 2-[(6-chloro-4-phenylquinazolin-2-yl)sulfanyl]acetate

5594-3000 Screening compound: methyl 2-[(6-chloro-4-phenylquinazolin-2-yl)sulfanyl]acetate
5594-3000 Screening compound: methyl 2-[(6-chloro-4-phenylquinazolin-2-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-3000
methyl 2-[(6-chloro-4-phenylquinazolin-2-yl)sulfanyl]acetate

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

5594-3000

Molecular Formula

C17H13ClN2O2S (C17 H13 ClN2 O2 S)

Compound Name

methyl 2-[(6-chloro-4-phenylquinazolin-2-yl)sulfanyl]acetate

IUPAC name

methyl 2-[(6-chloro-4-phenylquinazolin-2-yl)sulfanyl]acetate

SMILES

COC(CSc1nc(-c2ccccc2)c(cc(cc2)Cl)c2n1)=O

InChI

InChI=1S/C17H13ClN2O2S/c1-22-15(21)10-23-17-19-14-8-7-12(18)9-13(14)16(20-17)11-5-3-2-4-6-11/h2-9H,10H2,1H3

InChI Key

IQGCOXYXEBQPQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03008655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.472

Distribution Coefficient, logD

4.472

Water Solubility, LogSw

-4.64

Polar Surface Area

38.324

Acid Dissociation Constant (pKa)

16.50

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

5594-3000 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5594-3000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-3000?
Check Price and Availability of 5594-3000, 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 5594-3000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-3000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-3000
  • 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 5594-3000 available by request