Y042-6633 Screening compound: methyl 5-methyl-2-[({5-oxo-1-[3-(trifluoromethoxy)phenyl]tetrahydro-1H-pyrrol-3-yl}carbonyl)amino]-1,3-thiazole-4-carboxylate

Y042-6633 Screening compound: methyl 5-methyl-2-[({5-oxo-1-[3-(trifluoromethoxy)phenyl]tetrahydro-1H-pyrrol-3-yl}carbonyl)amino]-1,3-thiazole-4-carboxylate
Y042-6633 Screening compound: methyl 5-methyl-2-[({5-oxo-1-[3-(trifluoromethoxy)phenyl]tetrahydro-1H-pyrrol-3-yl}carbonyl)amino]-1,3-thiazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-6633
methyl 5-methyl-2-[({5-oxo-1-[3-(trifluoromethoxy)phenyl]tetrahydro-1H-pyrrol-3-yl}carbonyl)amino]-1,3-thiazole-4-carboxylate

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

Y042-6633

Molecular Formula

C18H16F3N3O5S (C18 H16 F3 N3 O5 S)

Compound Name

methyl 5-methyl-2-[({5-oxo-1-[3-(trifluoromethoxy)phenyl]tetrahydro-1H-pyrrol-3-yl}carbonyl)amino]-1,3-thiazole-4-carboxylate

IUPAC name

methyl 5-methyl-2-{5-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidine-3-amido}-13-thiazole-4-carboxylate

SMILES

Cc1c(C(OC)=O)nc(NC(C(CC2=O)CN2c2cc(OC(F)(F)F)ccc2)=O)s1

InChI

InChI=1S/C18H16F3N3O5S/c1-9-14(16(27)28-2)22-17(30-9)23-15(26)10-6-13(25)24(8-10)11-4-3-5-12(7-11)29-18(19,20)21/h3-5,7,10H,6,8H2,1-2H3,(H,22,23,26)/t10-/m0/s1

InChI Key

RSCBIVRDCDLGKT-JTQLQIEISA-N

MDL Number (MFCD)

MFCD28057611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.462

Distribution Coefficient, logD

2.906

Water Solubility, LogSw

-3.86

Polar Surface Area

78.007

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

Y042-6633 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-6633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-6633?
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What is the minimum amount of Y042-6633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-6633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-6633
  • 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 Y042-6633 available by request