Y503-0306 Screening compound: ethyl 2-{[2-(4-chloro-2-methylphenoxy)propanoyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate

Y503-0306 Screening compound: ethyl 2-{[2-(4-chloro-2-methylphenoxy)propanoyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
Y503-0306 Screening compound: ethyl 2-{[2-(4-chloro-2-methylphenoxy)propanoyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-0306
ethyl 2-{[2-(4-chloro-2-methylphenoxy)propanoyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate

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

Y503-0306

Molecular Formula

C23H29ClN2O5S (C23 H29 ClN2 O5 S)

Compound Name

ethyl 2-{[2-(4-chloro-2-methylphenoxy)propanoyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate

IUPAC name

ethyl 2-[2-(4-chloro-2-methylphenoxy)propanamido]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

SMILES

CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(C(C)Oc(cc2)c(C)cc2Cl)=O)s1)=O

InChI

InChI=1S/C23H29ClN2O5S/c1-7-26(8-2)22(28)19-14(5)18(23(29)30-9-3)21(32-19)25-20(27)15(6)31-17-11-10-16(24)12-13(17)4/h10-12,15H,7-9H2,1-6H3,(H,25,27)/t15-/m0/s1

InChI Key

XHDUBCBMBTVWRI-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.131

Distribution Coefficient, logD

3.286

Water Solubility, LogSw

-5.76

Polar Surface Area

66.685

Acid Dissociation Constant (pKa)

5.56

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

References: we are preparing a list of scientific research reports with Y503-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-0306?
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What is the minimum amount of Y503-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-0306
  • 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 Y503-0306 available by request