6186-3496 Screening compound: 2-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]ethyl 3-methylbenzoate

6186-3496 Screening compound: 2-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]ethyl 3-methylbenzoate
6186-3496 Screening compound: 2-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]ethyl 3-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6186-3496
2-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]ethyl 3-methylbenzoate

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

6186-3496

Molecular Formula

C21H22N2O2S (C21 H22 N2 O2 S)

Compound Name

2-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]ethyl 3-methylbenzoate

IUPAC name

2-[(467-trimethylquinazolin-2-yl)sulfanyl]ethyl 3-methylbenzoate

SMILES

Cc1cccc(C(OCCSc2nc3cc(C)c(C)cc3c(C)n2)=O)c1

InChI

InChI=1S/C21H22N2O2S/c1-13-6-5-7-17(10-13)20(24)25-8-9-26-21-22-16(4)18-11-14(2)15(3)12-19(18)23-21/h5-7,10-12H,8-9H2,1-4H3

InChI Key

XHIQJRISRHRCGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03303462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.771

Distribution Coefficient, logD

5.771

Water Solubility, LogSw

-5.51

Polar Surface Area

38.600

Acid Dissociation Constant (pKa)

23.44

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

6186-3496 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6186-3496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6186-3496?
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What is the minimum amount of 6186-3496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6186-3496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6186-3496
  • 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 6186-3496 available by request