8009-8361 Screening compound: ethyl 3'-(4-bromophenyl)-3,3-bis(4-chlorophenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate

8009-8361 Screening compound: ethyl 3'-(4-bromophenyl)-3,3-bis(4-chlorophenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
8009-8361 Screening compound: ethyl 3'-(4-bromophenyl)-3,3-bis(4-chlorophenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8361
ethyl 3'-(4-bromophenyl)-3,3-bis(4-chlorophenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate

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

8009-8361

Molecular Formula

C30H21BrCl2N2O2S2 (C30 H21 BrCl2 N2 O2 S2)

Compound Name

ethyl 3'-(4-bromophenyl)-3,3-bis(4-chlorophenyl)-3H,3'H-spiro[2-benzothiophene-1,2'-[1,3,4]thiadiazole]-5'-carboxylate

IUPAC name

ethyl 3'-(4-bromophenyl)-33-bis(4-chlorophenyl)-3H3'H-spiro[2-benzothiophene-12'-[134]thiadiazole]-5'-carboxylate

SMILES

CCOC(C(SC1(c2c3cccc2)SC3(c(cc2)ccc2Cl)c(cc2)ccc2Cl)=NN1c(cc1)ccc1Br)=O

InChI

InChI=1S/C30H21BrCl2N2O2S2/c1-2-37-28(36)27-34-35(24-17-11-21(31)12-18-24)30(38-27)26-6-4-3-5-25(26)29(39-30,19-7-13-22(32)14-8-19)20-9-15-23(33)16-10-20/h3-18H,2H2,1H3/t30-/m1/s1

InChI Key

FVIBIUPMIPDBRZ-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD01575659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

656.45

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

10.227

Distribution Coefficient, logD

10.227

Water Solubility, LogSw

-6.47

Polar Surface Area

33.902

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-3.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 8009-8361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8361?
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What is the minimum amount of 8009-8361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8361
  • 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 8009-8361 available by request