1187-1220 Screening compound: 1,9,10,11-tetrachloro-12,12-dimethoxy-5-oxatetracyclo[7.2.1.0~2,8~.0~4,6~]dodec-10-ene-3,7-dione

1187-1220 Screening compound: 1,9,10,11-tetrachloro-12,12-dimethoxy-5-oxatetracyclo[7.2.1.0~2,8~.0~4,6~]dodec-10-ene-3,7-dione
1187-1220 Screening compound: 1,9,10,11-tetrachloro-12,12-dimethoxy-5-oxatetracyclo[7.2.1.0~2,8~.0~4,6~]dodec-10-ene-3,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-1220
1,9,10,11-tetrachloro-12,12-dimethoxy-5-oxatetracyclo[7.2.1.0~2,8~.0~4,6~]dodec-10-ene-3,7-dione

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

1187-1220

Molecular Formula

C13H10Cl4O5 (C13 H10 Cl4 O5)

Compound Name

1,9,10,11-tetrachloro-12,12-dimethoxy-5-oxatetracyclo[7.2.1.0~2,8~.0~4,6~]dodec-10-ene-3,7-dione

IUPAC name

191011-tetrachloro-1212-dimethoxy-5-oxatetracyclo[7.2.1.0^{28}.0^{46}]dodec-10-ene-37-dione

SMILES

COC(C(C(C1C(C2OC22)=O)C2=O)(C(Cl)=C2Cl)Cl)(C12Cl)OC

InChI

InChI=1S/C13H10Cl4O5/c1-20-13(21-2)11(16)3-4(12(13,17)10(15)9(11)14)6(19)8-7(22-8)5(3)18/h3-4,7-8H,1-2H3

InChI Key

FTFODMXPWPXCFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00547215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.523

Distribution Coefficient, logD

2.523

Water Solubility, LogSw

-2.49

Polar Surface Area

50.381

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

69.20

1187-1220 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1187-1220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-1220?
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What is the minimum amount of 1187-1220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-1220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-1220
  • 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 1187-1220 available by request