8007-6691 Screening compound: (2S,4aR,6aS,6bS)-6b-[(1E)-N-(acetyloxy)ethanimidoyl]-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,6b,7,7a,8,8a,8b,9-hexadecahydrocyclopropa[3,4]cyclopenta[1,2-a]phenanthren-2-yl acetate

8007-6691 Screening compound: (2S,4aR,6aS,6bS)-6b-[(1E)-N-(acetyloxy)ethanimidoyl]-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,6b,7,7a,8,8a,8b,9-hexadecahydrocyclopropa[3,4]cyclopenta[1,2-a]phenanthren-2-yl acetate
8007-6691 Screening compound: (2S,4aR,6aS,6bS)-6b-[(1E)-N-(acetyloxy)ethanimidoyl]-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,6b,7,7a,8,8a,8b,9-hexadecahydrocyclopropa[3,4]cyclopenta[1,2-a]phenanthren-2-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6691
(2S,4aR,6aS,6bS)-6b-[(1E)-N-(acetyloxy)ethanimidoyl]-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,6b,7,7a,8,8a,8b,9-hexadecahydrocyclopropa[3,4]cyclopenta[1,2-a]phenanthren-2-yl acetate

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

8007-6691

Molecular Formula

C26H37NO4 (C26 H37 NO4)

Compound Name

(2S,4aR,6aS,6bS)-6b-[(1E)-N-(acetyloxy)ethanimidoyl]-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,6b,7,7a,8,8a,8b,9-hexadecahydrocyclopropa[3,4]cyclopenta[1,2-a]phenanthren-2-yl acetate

IUPAC name

(E)-{1-[(6S7S11R14S)-14-(acetyloxy)-711-dimethylpentacyclo[8.8.0.0^{27}.0^{46}.0^{1116}]octadec-16-en-6-yl]ethylidene}amino acetate

SMILES

C[C@@](CC1)(C(CC2C3)C4C1[C@](C)(CC[C@H](C1)OC(C)=O)C1=CC4)[C@]23/C(/C)=N/OC(C)=O

InChI

InChI=1S/C26H37NO4/c1-15(27-31-17(3)29)26-14-19(26)13-23-21-7-6-18-12-20(30-16(2)28)8-10-24(18,4)22(21)9-11-25(23,26)5/h6,19-23H,7-14H2,1-5H3/t19?,20-,21?,22?,23?,24+,25+,26+/m0/s1

InChI Key

GGQIDQJAIYDGEX-SXOMHDKOSA-N

MDL Number (MFCD)

MFCD01240444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.58

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

4.346

Distribution Coefficient, logD

4.346

Water Solubility, LogSw

-4.77

Polar Surface Area

52.758

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

80.80

8007-6691 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8007-6691 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
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Delivery formats for 8007-6691
  • 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 8007-6691 available by request