8012-1233 Screening compound: ethyl 4-methyl-5-phenyl-2-({1,1,1-trifluoro-3-methoxy-2-[(4-methylphenyl)formamido]-3-oxopropan-2-yl}amino)thiophene-3-carboxylate

8012-1233 Screening compound: ethyl 4-methyl-5-phenyl-2-({1,1,1-trifluoro-3-methoxy-2-[(4-methylphenyl)formamido]-3-oxopropan-2-yl}amino)thiophene-3-carboxylate
8012-1233 Screening compound: ethyl 4-methyl-5-phenyl-2-({1,1,1-trifluoro-3-methoxy-2-[(4-methylphenyl)formamido]-3-oxopropan-2-yl}amino)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-1233
ethyl 4-methyl-5-phenyl-2-({1,1,1-trifluoro-3-methoxy-2-[(4-methylphenyl)formamido]-3-oxopropan-2-yl}amino)thiophene-3-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

8012-1233

Molecular Formula

C26H25F3N2O5S (C26 H25 F3 N2 O5 S)

Compound Name

ethyl 4-methyl-5-phenyl-2-({1,1,1-trifluoro-3-methoxy-2-[(4-methylphenyl)formamido]-3-oxopropan-2-yl}amino)thiophene-3-carboxylate

IUPAC name

ethyl 4-methyl-5-phenyl-2-({111-trifluoro-3-methoxy-2-[(4-methylphenyl)formamido]-3-oxopropan-2-yl}amino)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(F)(F)F)(C(OC)=O)NC(c2ccc(C)cc2)=O)sc(-c2ccccc2)c1C)=O

InChI

InChI=1S/C26H25F3N2O5S/c1-5-36-23(33)19-16(3)20(17-9-7-6-8-10-17)37-22(19)31-25(24(34)35-4,26(27,28)29)30-21(32)18-13-11-15(2)12-14-18/h6-14,31H,5H2,1-4H3,(H,30,32)/t25-/m1/s1

InChI Key

PCQTYUFENCRGMD-RUZDIDTESA-N

MDL Number (MFCD)

MFCD02933981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.969

Distribution Coefficient, logD

4.688

Water Solubility, LogSw

-5.75

Polar Surface Area

74.977

Acid Dissociation Constant (pKa)

6.14

Base Dissociation Constant (pKb)

-11.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

8012-1233 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8012-1233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-1233?
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What is the minimum amount of 8012-1233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-1233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-1233
  • 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 8012-1233 available by request