Y041-4564 Screening compound: 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-[N'-(4-methoxy-2,3,6-trimethylbenzenesulfonyl)carbamimidamido]pentanoic acid

Y041-4564 Screening compound: 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-[N'-(4-methoxy-2,3,6-trimethylbenzenesulfonyl)carbamimidamido]pentanoic acid
Y041-4564 Screening compound: 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-[N'-(4-methoxy-2,3,6-trimethylbenzenesulfonyl)carbamimidamido]pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4564
2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-[N'-(4-methoxy-2,3,6-trimethylbenzenesulfonyl)carbamimidamido]pentanoic acid

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

Y041-4564

Molecular Formula

C31H36N4O7S (C31 H36 N4 O7 S)

Compound Name

2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-[N'-(4-methoxy-2,3,6-trimethylbenzenesulfonyl)carbamimidamido]pentanoic acid

IUPAC name

(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-[N'-(4-methoxy-236-trimethylbenzenesulfonyl)carbamimidamido]pentanoic acid

SMILES

Cc1cc(OC)c(C)c(C)c1S(NC(NCCCC(C(O)=O)NC(OCC1c(cccc2)c2-c2c1cccc2)=O)=N)(=O)=O

InChI

InChI=1S/C31H36N4O7S/c1-18-16-27(41-4)19(2)20(3)28(18)43(39,40)35-30(32)33-15-9-14-26(29(36)37)34-31(38)42-17-25-23-12-7-5-10-21(23)22-11-6-8-13-24(22)25/h5-8,10-13,16,25-26H,9,14-15,17H2,1-4H3,(H,34,38)(H,36,37)(H3,32,33,35)/t26-/m0/s1

InChI Key

LKGHIEITYHYVED-SANMLTNESA-N

MDL Number (MFCD)

MFCD01860561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

608.72

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.785

Distribution Coefficient, logD

3.785

Water Solubility, LogSw

-3.87

Polar Surface Area

138.571

Acid Dissociation Constant (pKa)

4.13

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

Y041-4564 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 Y041-4564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4564?
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What is the minimum amount of Y041-4564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4564
  • 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 Y041-4564 available by request