Y043-2172 Screening compound: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-isopropylpentanamide

Y043-2172 Screening compound: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-isopropylpentanamide
Y043-2172 Screening compound: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-isopropylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-2172
(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-isopropylpentanamide

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

Y043-2172

Molecular Formula

C27H47NO3 (C27 H47 NO3)

Compound Name

(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-isopropylpentanamide

IUPAC name

(4R)-4-[(1R3aS3bR4S5aS7R9aS9bS11aR)-47-dihydroxy-9a11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-N-(propan-2-yl)pentanamide

SMILES

CC(C)NC(CC[C@@H](C)[C@@H](CC1)[C@@](C)(CC[C@@H]2[C@@](C)(CC[C@H](C3)O)[C@@H]3C3)[C@@H]1[C@@H]2[C@H]3O)=O

InChI

InChI=1S/C27H47NO3/c1-16(2)28-24(31)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(29)14-18(26)15-23(25)30/h16-23,25,29-30H,6-15H2,1-5H3,(H,28,31)/t17-,18-,19+,20-,21-,22-,23+,25+,26+,27-/m1/s1

InChI Key

TVVMFHADLJGFOA-WNZCYPJMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.052

Distribution Coefficient, logD

4.052

Water Solubility, LogSw

-4.44

Polar Surface Area

55.342

Acid Dissociation Constant (pKa)

15.34

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

10.00

Percent sp3 carbon bonding

96.30

Y043-2172 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y043-2172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-2172?
Check Price and Availability of Y043-2172, 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 Y043-2172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-2172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-2172
  • 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 Y043-2172 available by request