Y031-3846 Screening compound: N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

Y031-3846 Screening compound: N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
Y031-3846 Screening compound: N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3846
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

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

Y031-3846

Molecular Formula

C18H22N4O3S (C18 H22 N4 O3 S)

Compound Name

N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-[5-(2-ethoxyethyl)-134-thiadiazol-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

CCOCCc1nnc(NC(C(CC2=O)CN2c2c(C)cccc2)=O)s1

InChI

InChI=1S/C18H22N4O3S/c1-3-25-9-8-15-20-21-18(26-15)19-17(24)13-10-16(23)22(11-13)14-7-5-4-6-12(14)2/h4-7,13H,3,8-11H2,1-2H3,(H,19,21,24)/t13-/m0/s1

InChI Key

PVEYCHPQWQIIDY-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD07400899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.314

Distribution Coefficient, logD

1.718

Water Solubility, LogSw

-2.67

Polar Surface Area

71.796

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

Y031-3846 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y031-3846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3846?
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What is the minimum amount of Y031-3846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3846
  • 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 Y031-3846 available by request