3807-5269 Screening compound: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]ethan-1-one

3807-5269 Screening compound: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]ethan-1-one
3807-5269 Screening compound: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-5269
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]ethan-1-one

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

3807-5269

Molecular Formula

C42H38N2O2S2 (C42 H38 N2 O2 S2)

Compound Name

2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]ethan-1-one

IUPAC name

2-[(6-ethoxy-13-benzothiazol-2-yl)sulfanyl]-1-[224-trimethyl-6-(triphenylmethyl)-12-dihydroquinolin-1-yl]ethan-1-one

SMILES

CCOc(cc1)cc2c1nc(SCC(N1c(ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3)c3C(C)=CC1(C)C)=O)s2

InChI

InChI=1S/C42H38N2O2S2/c1-5-46-34-22-23-36-38(26-34)48-40(43-36)47-28-39(45)44-37-24-21-33(25-35(37)29(2)27-41(44,3)4)42(30-15-9-6-10-16-30,31-17-11-7-12-18-31)32-19-13-8-14-20-32/h6-27H,5,28H2,1-4H3

InChI Key

YZFNXHXLUOFCQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

666.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

11.082

Distribution Coefficient, logD

11.082

Water Solubility, LogSw

-5.71

Polar Surface Area

29.187

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

3807-5269 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 3807-5269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-5269?
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What is the minimum amount of 3807-5269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-5269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-5269
  • 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 3807-5269 available by request