8008-8794 Screening compound: pentyl 2-[1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]benzoate

8008-8794 Screening compound: pentyl 2-[1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]benzoate
8008-8794 Screening compound: pentyl 2-[1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8794
pentyl 2-[1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]benzoate

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

8008-8794

Molecular Formula

C30H25Br2NO4 (C30 H25 Br2 NO4)

Compound Name

pentyl 2-[1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaen-17-yl]benzoate

IUPAC name

pentyl 2-{18-dibromo-1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2469(14)1012-hexaen-17-yl}benzoate

SMILES

CCCCCOC(c(cccc1)c1N(C(C(C1C(c2c3cccc2)(c2c4cccc2)Br)C34Br)=O)C1=O)=O

InChI

InChI=1S/C30H25Br2NO4/c1-2-3-10-17-37-28(36)18-11-4-9-16-23(18)33-26(34)24-25(27(33)35)30(32)20-13-6-5-12-19(20)29(24,31)21-14-7-8-15-22(21)30/h4-9,11-16,24-25H,2-3,10,17H2,1H3

InChI Key

XILWPYLBYOTUOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01156456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

623.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.981

Distribution Coefficient, logD

6.981

Water Solubility, LogSw

-5.82

Polar Surface Area

49.196

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-10.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

8008-8794 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8008-8794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8794?
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What is the minimum amount of 8008-8794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8794
  • 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 8008-8794 available by request