8010-7333 Screening compound: methyl 2-({3-ethoxy-1,1,1-trifluoro-2-[(furan-2-yl)formamido]-3-oxopropan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

8010-7333 Screening compound: methyl 2-({3-ethoxy-1,1,1-trifluoro-2-[(furan-2-yl)formamido]-3-oxopropan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
8010-7333 Screening compound: methyl 2-({3-ethoxy-1,1,1-trifluoro-2-[(furan-2-yl)formamido]-3-oxopropan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-7333
methyl 2-({3-ethoxy-1,1,1-trifluoro-2-[(furan-2-yl)formamido]-3-oxopropan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-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

8010-7333

Molecular Formula

C20H21F3N2O6S (C20 H21 F3 N2 O6 S)

Compound Name

methyl 2-({3-ethoxy-1,1,1-trifluoro-2-[(furan-2-yl)formamido]-3-oxopropan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-({3-ethoxy-111-trifluoro-2-[(furan-2-yl)formamido]-3-oxopropan-2-yl}amino)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(C(C(F)(F)F)(NC(c1ccco1)=O)Nc1c(C(OC)=O)c(CCCC2)c2s1)=O

InChI

InChI=1S/C20H21F3N2O6S/c1-3-30-18(28)19(20(21,22)23,24-15(26)12-8-6-10-31-12)25-16-14(17(27)29-2)11-7-4-5-9-13(11)32-16/h6,8,10,25H,3-5,7,9H2,1-2H3,(H,24,26)/t19-/m1/s1

InChI Key

YCKOZBZMDANQQA-LJQANCHMSA-N

MDL Number (MFCD)

MFCD01926306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.156

Distribution Coefficient, logD

2.645

Water Solubility, LogSw

-4.27

Polar Surface Area

83.748

Acid Dissociation Constant (pKa)

5.90

Base Dissociation Constant (pKb)

-8.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

8010-7333 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-7333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-7333?
Check Price and Availability of 8010-7333, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8010-7333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-7333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-7333
  • 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 8010-7333 available by request