Y043-8376 Screening compound: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(3,4-dimethoxybenzyl)pentanamide

Chemical Structure Depiction of ChemDiv screening compound Y043-8376
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(3,4-dimethoxybenzyl)pentanamide

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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y043-8376

Molecular Formula

C₃₃H₅₁NO₅ (C33 H51 NO5)

Compound Name

(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(3,4-dimethoxybenzyl)pentanamide

IUPAC name

(4R)-4-[(1R3aS3bR5aR7R9aS9bS11S11aR)-711-dihydroxy-9a11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-N-[(34-dimethoxyphenyl)methyl]pentanamide

SMILES

C[C@H](CCC(NCc(cc1)cc(OC)c1OC)=O)[C@@H](CC[C@H]1[C@H](CC2)[C@H](C3)[C@@](C)(CC4)[C@H]2C[C@@H]4O)[C@@]1(C)[C@H]3O

InChI

InChI=1S/C33H51NO5/c1-20(6-13-31(37)34-19-21-7-12-28(38-4)29(16-21)39-5)25-10-11-26-24-9-8-22-17-23(35)14-15-32(22,2)27(24)18-30(36)33(25,26)3/h7,12,16,20,22-27,30,35-36H,6,8-11,13-15,17-19H2,1-5H3,(H,34,37)/t20-,22+,23+,24-,25-,26-,27-,30+,32+,33-/m1/s1

InChI Key

BULOAMAOUWFVCO-YUVHFNSRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.459

Distribution Coefficient, logD

4.459

Water Solubility, LogSw

-4.66

Polar Surface Area

71.357

Acid Dissociation Constant (pK_a)

14.52

Base Dissociation Constant (pK_b)

-0.79

Number of Chiral Centers

10.00

Percent sp³ carbon bonding

78.79

Y043-8376 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds
Cardiovascular
Metabolic
Immune system
Cancer
Nervous system
Male
Female
Hemic and lymphatic
Skin
Endocrine

Structure:

Cyclic compounds

Targets:

Phosphatases

References: we are preparing a list of scientific research reports with Y043-8376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8376?
Check Price and Availability of Y043-8376, 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 Y043-8376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for Y043-8376
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for Y043-8376

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 Y043-8376 available by request