8010-4238 Screening compound: methyl 2-[(1,1,1,3,3,3-hexafluoro-2-pentanamidopropan-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

8010-4238 Screening compound: methyl 2-[(1,1,1,3,3,3-hexafluoro-2-pentanamidopropan-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
8010-4238 Screening compound: methyl 2-[(1,1,1,3,3,3-hexafluoro-2-pentanamidopropan-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4238
methyl 2-[(1,1,1,3,3,3-hexafluoro-2-pentanamidopropan-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

8010-4238

Molecular Formula

C18H22F6N2O3S (C18 H22 F6 N2 O3 S)

Compound Name

methyl 2-[(1,1,1,3,3,3-hexafluoro-2-pentanamidopropan-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-[(111333-hexafluoro-2-pentanamidopropan-2-yl)amino]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

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

InChI

InChI=1S/C18H22F6N2O3S/c1-3-4-9-12(27)25-16(17(19,20)21,18(22,23)24)26-14-13(15(28)29-2)10-7-5-6-8-11(10)30-14/h26H,3-9H2,1-2H3,(H,25,27)

InChI Key

HKZNQXQSZHOPIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.013

Distribution Coefficient, logD

0.005

Water Solubility, LogSw

-4.77

Polar Surface Area

54.474

Acid Dissociation Constant (pKa)

2.39

Base Dissociation Constant (pKb)

-9.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with 8010-4238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4238?
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What is the minimum amount of 8010-4238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4238
  • 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 8010-4238 available by request