Y501-8840 Screening compound: 17-((E)-2-{(E)-1-[4-(diethylamino)phenyl]methylidene}hydrazono)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol

Y501-8840 Screening compound: 17-((E)-2-{(E)-1-[4-(diethylamino)phenyl]methylidene}hydrazono)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol

Chemical Structure Depiction of ChemDiv screening compound Y501-8840
17-((E)-2-{(E)-1-[4-(diethylamino)phenyl]methylidene}hydrazono)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol

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

Y501-8840

Molecular Formula

C29H37N3O (C29 H37 N3 O)

Compound Name

17-((E)-2-{(E)-1-[4-(diethylamino)phenyl]methylidene}hydrazono)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol

IUPAC name

(1E)-1-[(2E)-2-{[4-(diethylamino)phenyl]methylidene}hydrazin-1-ylidene]-11a-methyl-1H2H3H3aH3bH4H5H9bH10H11H11aH-cyclopenta[a]phenanthren-7-ol

SMILES

CCN(CC)c1ccc(/C=N/N=C(\CC2)/C(C)(CC3)C2C(CC2)C3c(cc3)c2cc3O)cc1

InChI

InChI=1S/C29H37N3O/c1-4-32(5-2)22-9-6-20(7-10-22)19-30-31-28-15-14-27-26-12-8-21-18-23(33)11-13-24(21)25(26)16-17-29(27,28)3/h6-7,9-11,13,18-19,25-27,33H,4-5,8,12,14-17H2,1-3H3/b30-19?,31-28+

InChI Key

XLLVCEWUWMRFCJ-SSONBSSVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.011

Distribution Coefficient, logD

6.008

Water Solubility, LogSw

-5.79

Polar Surface Area

39.456

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

51.72

Y501-8840 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y501-8840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-8840?
Check Price and Availability of Y501-8840, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y501-8840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-8840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-8840
  • 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 Y501-8840 available by request