Y041-4565 Screening compound: 3-[(acetamidomethyl)sulfanyl]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

Y041-4565 Screening compound: 3-[(acetamidomethyl)sulfanyl]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
Y041-4565 Screening compound: 3-[(acetamidomethyl)sulfanyl]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4565
3-[(acetamidomethyl)sulfanyl]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic 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

Y041-4565

Molecular Formula

C21H22N2O5S (C21 H22 N2 O5 S)

Compound Name

3-[(acetamidomethyl)sulfanyl]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

IUPAC name

(2R)-3-[(acetamidomethyl)sulfanyl]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

SMILES

CC(NCSCC(C(O)=O)NC(OCC1c(cccc2)c2-c2c1cccc2)=O)=O

InChI

InChI=1S/C21H22N2O5S/c1-13(24)22-12-29-11-19(20(25)26)23-21(27)28-10-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18-19H,10-12H2,1H3,(H,22,24)(H,23,27)(H,25,26)/t19-/m0/s1

InChI Key

CSMYOORPUGPKAP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00038769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.996

Distribution Coefficient, logD

-2.012

Water Solubility, LogSw

-2.58

Polar Surface Area

86.368

Acid Dissociation Constant (pKa)

3.39

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with Y041-4565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4565?
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What is the minimum amount of Y041-4565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4565
  • 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 Y041-4565 available by request