3785-0231 Screening compound: 2-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]ethyl 2,4-dichlorobenzoate

3785-0231 Screening compound: 2-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]ethyl 2,4-dichlorobenzoate
3785-0231 Screening compound: 2-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]ethyl 2,4-dichlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3785-0231
2-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]ethyl 2,4-dichlorobenzoate

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

3785-0231

Molecular Formula

C20H18Cl2N2O2S (C20 H18 Cl2 N2 O2 S)

Compound Name

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

IUPAC name

2-[(467-trimethylquinazolin-2-yl)sulfanyl]ethyl 24-dichlorobenzoate

SMILES

Cc(cc1c(C)n2)c(C)cc1nc2SCCOC(c(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C20H18Cl2N2O2S/c1-11-8-16-13(3)23-20(24-18(16)9-12(11)2)27-7-6-26-19(25)15-5-4-14(21)10-17(15)22/h4-5,8-10H,6-7H2,1-3H3

InChI Key

WYSUDBRSWVFMEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.35

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

6.570

Distribution Coefficient, logD

6.570

Water Solubility, LogSw

-6.28

Polar Surface Area

38.600

Acid Dissociation Constant (pKa)

23.01

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3785-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3785-0231?
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What is the minimum amount of 3785-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3785-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3785-0231
  • 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 3785-0231 available by request