8008-6711 Screening compound: 2-isopropyl-5-methylcyclohexyl 3-[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

8008-6711 Screening compound: 2-isopropyl-5-methylcyclohexyl 3-[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
8008-6711 Screening compound: 2-isopropyl-5-methylcyclohexyl 3-[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 8008-6711
2-isopropyl-5-methylcyclohexyl 3-[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

8008-6711

Molecular Formula

C35H35NO4 (C35 H35 NO4)

Compound Name

2-isopropyl-5-methylcyclohexyl 3-[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

5-methyl-2-(propan-2-yl)cyclohexyl 3-{1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2469(14)1012-hexaen-17-yl}benzoate

SMILES

CC(C)C(CCC(C)C1)C1OC(c1cccc(N(C(C(C2C3c4c5cccc4)C5c4c3cccc4)=O)C2=O)c1)=O

InChI

InChI=1S/C35H35NO4/c1-19(2)23-16-15-20(3)17-28(23)40-35(39)21-9-8-10-22(18-21)36-33(37)31-29-24-11-4-5-12-25(24)30(32(31)34(36)38)27-14-7-6-13-26(27)29/h4-14,18-20,23,28-32H,15-17H2,1-3H3

InChI Key

BFSVTJCSVHKUIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01174524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.67

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

7.053

Distribution Coefficient, logD

7.053

Water Solubility, LogSw

-5.62

Polar Surface Area

48.476

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-9.14

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

40.00

8008-6711 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8008-6711 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8008-6711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6711
  • 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 8008-6711 available by request