8014-3125 Screening compound: 1-[8-(4-bromophenyl)-1-(2-chlorophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-dien-3-yl]-1-ethanone

8014-3125 Screening compound: 1-[8-(4-bromophenyl)-1-(2-chlorophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-dien-3-yl]-1-ethanone
8014-3125 Screening compound: 1-[8-(4-bromophenyl)-1-(2-chlorophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-dien-3-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-3125
1-[8-(4-bromophenyl)-1-(2-chlorophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-dien-3-yl]-1-ethanone

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

8014-3125

Molecular Formula

C25H20BrClN4OS (C25 H20 BrClN4 OS)

Compound Name

1-[8-(4-bromophenyl)-1-(2-chlorophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-dien-3-yl]-1-ethanone

IUPAC name

1-[8-(4-bromophenyl)-1-(2-chlorophenyl)-6-phenyl-4-thia-1267-tetraazaspiro[4.5]deca-27-dien-3-yl]ethan-1-one

SMILES

CC(C(SC1(CC2)N(c3ccccc3)N=C2c(cc2)ccc2Br)=NN1c(cccc1)c1Cl)=O

InChI

InChI=1S/C25H20BrClN4OS/c1-17(32)24-29-31(23-10-6-5-9-21(23)27)25(33-24)16-15-22(18-11-13-19(26)14-12-18)28-30(25)20-7-3-2-4-8-20/h2-14H,15-16H2,1H3/t25-/m1/s1

InChI Key

NIBWPXCKAXTMMT-RUZDIDTESA-N

MDL Number (MFCD)

MFCD02985145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.802

Distribution Coefficient, logD

6.799

Water Solubility, LogSw

-6.20

Polar Surface Area

40.233

Acid Dissociation Constant (pKa)

22.35

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 8014-3125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-3125?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-3125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-3125
  • 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 8014-3125 available by request