0934-1188 Screening compound: 2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]ethyl 2,3,4,5,6-pentachlorobenzoate

0934-1188 Screening compound: 2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]ethyl 2,3,4,5,6-pentachlorobenzoate
0934-1188 Screening compound: 2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]ethyl 2,3,4,5,6-pentachlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0934-1188
2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]ethyl 2,3,4,5,6-pentachlorobenzoate

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

0934-1188

Molecular Formula

C27H16Cl5NO4 (C27 H16 Cl5 NO4)

Compound Name

2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]ethyl 2,3,4,5,6-pentachlorobenzoate

IUPAC name

2-{1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaen-17-yl}ethyl 23456-pentachlorobenzoate

SMILES

O=C(c(c(Cl)c(c(Cl)c1Cl)Cl)c1Cl)OCCN(C(C(C1C2c3c4cccc3)C4c3c2cccc3)=O)C1=O

InChI

InChI=1S/C27H16Cl5NO4/c28-20-19(21(29)23(31)24(32)22(20)30)27(36)37-10-9-33-25(34)17-15-11-5-1-2-6-12(11)16(18(17)26(33)35)14-8-4-3-7-13(14)15/h1-8,15-18H,9-10H2

InChI Key

PEBBTEGZPLDGTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.451

Distribution Coefficient, logD

6.451

Water Solubility, LogSw

-7.31

Polar Surface Area

50.087

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-8.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 0934-1188 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 0934-1188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0934-1188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0934-1188
  • 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 0934-1188 available by request