8005-3761 Screening compound: ethyl 2-[(4aR,6aS)-6b-acetyl-4a,6a-dimethyl-4,4a,4b,5,6,6a,6b,7,7a,8,8a,8b-dodecahydrocyclopropa[3,4]cyclopenta[1,2-a]phenanthren-2(3H)-yliden]-1-hydrazinecarboxylate

8005-3761 Screening compound: ethyl 2-[(4aR,6aS)-6b-acetyl-4a,6a-dimethyl-4,4a,4b,5,6,6a,6b,7,7a,8,8a,8b-dodecahydrocyclopropa[3,4]cyclopenta[1,2-a]phenanthren-2(3H)-yliden]-1-hydrazinecarboxylate
8005-3761 Screening compound: ethyl 2-[(4aR,6aS)-6b-acetyl-4a,6a-dimethyl-4,4a,4b,5,6,6a,6b,7,7a,8,8a,8b-dodecahydrocyclopropa[3,4]cyclopenta[1,2-a]phenanthren-2(3H)-yliden]-1-hydrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-3761
ethyl 2-[(4aR,6aS)-6b-acetyl-4a,6a-dimethyl-4,4a,4b,5,6,6a,6b,7,7a,8,8a,8b-dodecahydrocyclopropa[3,4]cyclopenta[1,2-a]phenanthren-2(3H)-yliden]-1-hydrazinecarboxylate

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

8005-3761

Molecular Formula

C25H34N2O3 (C25 H34 N2 O3)

Compound Name

ethyl 2-[(4aR,6aS)-6b-acetyl-4a,6a-dimethyl-4,4a,4b,5,6,6a,6b,7,7a,8,8a,8b-dodecahydrocyclopropa[3,4]cyclopenta[1,2-a]phenanthren-2(3H)-yliden]-1-hydrazinecarboxylate

IUPAC name

N'-[(7S11R14E)-6-acetyl-711-dimethylpentacyclo[8.8.0.0^{27}.0^{46}.0^{1116}]octadeca-1517-dien-14-ylidene]ethoxycarbohydrazide

SMILES

CCOC(N/N=C1/C=C2C=CC(C(CC3C4)[C@@](C)(CC5)C34C(C)=O)C5[C@]2(C)CC1)=O

InChI

InChI=1S/C25H34N2O3/c1-5-30-22(29)27-26-18-8-10-23(3)16(12-18)6-7-19-20(23)9-11-24(4)21(19)13-17-14-25(17,24)15(2)28/h6-7,12,17,19-21H,5,8-11,13-14H2,1-4H3,(H,27,29)/t17?,19?,20?,21?,23-,24-,25?/m1/s1

InChI Key

ZXUIETOUIICYPE-LUOYMPTQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.424

Distribution Coefficient, logD

4.389

Water Solubility, LogSw

-4.75

Polar Surface Area

58.342

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

72.00

8005-3761 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 8005-3761 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8005-3761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-3761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-3761
  • 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 8005-3761 available by request