Y503-3453 Screening compound: ethyl 4-[2-(4-{[(4,5-dimethyl-2-thienyl)carbonyl]amino}-3-methyl-1H-pyrazol-1-yl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate

Y503-3453 Screening compound: ethyl 4-[2-(4-{[(4,5-dimethyl-2-thienyl)carbonyl]amino}-3-methyl-1H-pyrazol-1-yl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate
Y503-3453 Screening compound: ethyl 4-[2-(4-{[(4,5-dimethyl-2-thienyl)carbonyl]amino}-3-methyl-1H-pyrazol-1-yl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-3453
ethyl 4-[2-(4-{[(4,5-dimethyl-2-thienyl)carbonyl]amino}-3-methyl-1H-pyrazol-1-yl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate

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

Y503-3453

Molecular Formula

C21H29N5O4S (C21 H29 N5 O4 S)

Compound Name

ethyl 4-[2-(4-{[(4,5-dimethyl-2-thienyl)carbonyl]amino}-3-methyl-1H-pyrazol-1-yl)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-{2-[4-(45-dimethylthiophene-2-amido)-3-methyl-1H-pyrazol-1-yl]propanoyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C(C)n1nc(C)c(NC(c2cc(C)c(C)s2)=O)c1)=O)=O

InChI

InChI=1S/C21H29N5O4S/c1-6-30-21(29)25-9-7-24(8-10-25)20(28)15(4)26-12-17(14(3)23-26)22-19(27)18-11-13(2)16(5)31-18/h11-12,15H,6-10H2,1-5H3,(H,22,27)/t15-/m0/s1

InChI Key

GOTDSHPCPIGTNZ-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.314

Distribution Coefficient, logD

2.313

Water Solubility, LogSw

-2.90

Polar Surface Area

78.013

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

References: we are preparing a list of scientific research reports with Y503-3453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-3453?
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What is the minimum amount of Y503-3453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-3453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-3453
  • 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 Y503-3453 available by request