8012-1234 Screening compound: ethyl 4-methyl-5-phenyl-2-({1,1,1-trifluoro-3-methoxy-2-[(4-methoxyphenyl)formamido]-3-oxopropan-2-yl}amino)thiophene-3-carboxylate

8012-1234 Screening compound: ethyl 4-methyl-5-phenyl-2-({1,1,1-trifluoro-3-methoxy-2-[(4-methoxyphenyl)formamido]-3-oxopropan-2-yl}amino)thiophene-3-carboxylate
8012-1234 Screening compound: ethyl 4-methyl-5-phenyl-2-({1,1,1-trifluoro-3-methoxy-2-[(4-methoxyphenyl)formamido]-3-oxopropan-2-yl}amino)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-1234
ethyl 4-methyl-5-phenyl-2-({1,1,1-trifluoro-3-methoxy-2-[(4-methoxyphenyl)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

8012-1234

Molecular Formula

C26H25F3N2O6S (C26 H25 F3 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(NC(C(F)(F)F)(C(OC)=O)NC(c(cc2)ccc2OC)=O)sc(-c2ccccc2)c1C)=O

InChI

InChI=1S/C26H25F3N2O6S/c1-5-37-23(33)19-15(2)20(16-9-7-6-8-10-16)38-22(19)31-25(24(34)36-4,26(27,28)29)30-21(32)17-11-13-18(35-3)14-12-17/h6-14,31H,5H2,1-4H3,(H,30,32)/t25-/m1/s1

InChI Key

IISLRZJIHOPSQH-RUZDIDTESA-N

MDL Number (MFCD)

MFCD02933982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.528

Distribution Coefficient, logD

4.618

Water Solubility, LogSw

-5.65

Polar Surface Area

82.521

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

-11.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

8012-1234 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8012-1234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-1234?
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What is the minimum amount of 8012-1234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-1234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-1234
  • 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 8012-1234 available by request