8010-5391 Screening compound: methyl 2-({2-[(ethoxycarbonyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}amino)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

8010-5391 Screening compound: methyl 2-({2-[(ethoxycarbonyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}amino)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
8010-5391 Screening compound: methyl 2-({2-[(ethoxycarbonyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}amino)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5391
methyl 2-({2-[(ethoxycarbonyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}amino)-4H,5H,6H,7H,8H-cyclohepta[b]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

8010-5391

Molecular Formula

C17H20F6N2O4S (C17 H20 F6 N2 O4 S)

Compound Name

methyl 2-({2-[(ethoxycarbonyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}amino)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-({2-[(ethoxycarbonyl)amino]-111333-hexafluoropropan-2-yl}amino)-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

CCOC(NC(C(F)(F)F)(C(F)(F)F)Nc1c(C(OC)=O)c(CCCCC2)c2s1)=O

InChI

InChI=1S/C17H20F6N2O4S/c1-3-29-14(27)25-15(16(18,19)20,17(21,22)23)24-12-11(13(26)28-2)9-7-5-4-6-8-10(9)30-12/h24H,3-8H2,1-2H3,(H,25,27)

InChI Key

IDKJMWZFPMNLBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01945956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.083

Distribution Coefficient, logD

0.761

Water Solubility, LogSw

-4.76

Polar Surface Area

63.099

Acid Dissociation Constant (pKa)

2.77

Base Dissociation Constant (pKb)

-8.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

References: we are preparing a list of scientific research reports with 8010-5391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5391?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5391
  • 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 8010-5391 available by request