K204-0027 Screening compound: N'-[(E)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]-5-bromopyridine-3-carbohydrazide

K204-0027 Screening compound: N'-[(E)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]-5-bromopyridine-3-carbohydrazide
K204-0027 Screening compound: N'-[(E)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]-5-bromopyridine-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K204-0027
N'-[(E)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]-5-bromopyridine-3-carbohydrazide

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

K204-0027

Molecular Formula

C29H36BrN3O6 (C29 H36 BrN3 O6)

Compound Name

N'-[(E)-[3a,5a,7-trihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]-5-bromopyridine-3-carbohydrazide

IUPAC name

N'-[(E)-[(3bR7R9bS)-3a5a7-trihydroxy-11a-methyl-1-(5-oxo-25-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl]methylidene]-5-bromopyridine-3-carbohydrazide

SMILES

CC(CC[C@@H]([C@H]1CCC2(C[C@@H](CC3)O)O)C23/C=N/NC(c2cc(Br)cnc2)=O)(C(CC2)C(CO3)=CC3=O)C12O

InChI

InChI=1S/C29H36BrN3O6/c1-26-6-3-22-23(29(26,38)9-5-21(26)18-11-24(35)39-15-18)4-8-28(37)12-20(34)2-7-27(22,28)16-32-33-25(36)17-10-19(30)14-31-13-17/h10-11,13-14,16,20-23,34,37-38H,2-9,12,15H2,1H3,(H,33,36)/t20-,21?,22-,23-,26?,27?,28?,29?/m0/s1

InChI Key

MOPFIQQNRVCYIT-LDPLYEEQSA-N

MDL Number (MFCD)

MFCD02656706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.331

Distribution Coefficient, logD

2.319

Water Solubility, LogSw

-3.43

Polar Surface Area

113.191

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

65.50

K204-0027 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 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

References: we are preparing a list of scientific research reports with K204-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K204-0027?
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What is the minimum amount of K204-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K204-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K204-0027
  • 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 K204-0027 available by request