Y041-4112 Screening compound: 3-(2-{2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl}acetamido)propanoic acid

Y041-4112 Screening compound: 3-(2-{2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl}acetamido)propanoic acid
Y041-4112 Screening compound: 3-(2-{2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl}acetamido)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4112
3-(2-{2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl}acetamido)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

Y041-4112

Molecular Formula

C15H13F3N2O4S (C15 H13 F3 N2 O4 S)

Compound Name

3-(2-{2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl}acetamido)propanoic acid

IUPAC name

3-(2-{2-[4-(trifluoromethoxy)phenyl]-13-thiazol-4-yl}acetamido)propanoic acid

SMILES

OC(CCNC(Cc1csc(-c(cc2)ccc2OC(F)(F)F)n1)=O)=O

InChI

InChI=1S/C15H13F3N2O4S/c16-15(17,18)24-11-3-1-9(2-4-11)14-20-10(8-25-14)7-12(21)19-6-5-13(22)23/h1-4,8H,5-7H2,(H,19,21)(H,22,23)

InChI Key

VCBFQQHRCRANGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12206434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.380

Distribution Coefficient, logD

-0.316

Water Solubility, LogSw

-2.86

Polar Surface Area

69.101

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

Y041-4112 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y041-4112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4112?
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What is the minimum amount of Y041-4112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4112
  • 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 Y041-4112 available by request