Y042-6632 Screening compound: methyl 2-({[1-(2-methoxyphenethyl)-5-oxotetrahydro-1H-pyrrol-3-yl]carbonyl}amino)-5-methyl-1,3-thiazole-4-carboxylate

Y042-6632 Screening compound: methyl 2-({[1-(2-methoxyphenethyl)-5-oxotetrahydro-1H-pyrrol-3-yl]carbonyl}amino)-5-methyl-1,3-thiazole-4-carboxylate
Y042-6632 Screening compound: methyl 2-({[1-(2-methoxyphenethyl)-5-oxotetrahydro-1H-pyrrol-3-yl]carbonyl}amino)-5-methyl-1,3-thiazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-6632
methyl 2-({[1-(2-methoxyphenethyl)-5-oxotetrahydro-1H-pyrrol-3-yl]carbonyl}amino)-5-methyl-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

Y042-6632

Molecular Formula

C20H23N3O5S (C20 H23 N3 O5 S)

Compound Name

methyl 2-({[1-(2-methoxyphenethyl)-5-oxotetrahydro-1H-pyrrol-3-yl]carbonyl}amino)-5-methyl-1,3-thiazole-4-carboxylate

IUPAC name

methyl 2-{1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-amido}-5-methyl-13-thiazole-4-carboxylate

SMILES

Cc1c(C(OC)=O)nc(NC(C(C2)CN(CCc(cccc3)c3OC)C2=O)=O)s1

InChI

InChI=1S/C20H23N3O5S/c1-12-17(19(26)28-3)21-20(29-12)22-18(25)14-10-16(24)23(11-14)9-8-13-6-4-5-7-15(13)27-2/h4-7,14H,8-11H2,1-3H3,(H,21,22,25)/t14-/m0/s1

InChI Key

YVDLSMMJDJMRHF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD28057684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.077

Distribution Coefficient, logD

1.833

Water Solubility, LogSw

-2.63

Polar Surface Area

80.125

Acid Dissociation Constant (pKa)

7.52

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y042-6632 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y042-6632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-6632?
Check Price and Availability of Y042-6632, 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 Y042-6632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-6632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-6632
  • 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 Y042-6632 available by request