8010-4234 Screening compound: 2-({1,1,1,3,3,3-hexafluoro-2-[(thiophen-2-yl)formamido]propan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

8010-4234 Screening compound: 2-({1,1,1,3,3,3-hexafluoro-2-[(thiophen-2-yl)formamido]propan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
8010-4234 Screening compound: 2-({1,1,1,3,3,3-hexafluoro-2-[(thiophen-2-yl)formamido]propan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4234
2-({1,1,1,3,3,3-hexafluoro-2-[(thiophen-2-yl)formamido]propan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

8010-4234

Molecular Formula

C17H15F6N3O2S2 (C17 H15 F6 N3 O2 S2)

Compound Name

2-({1,1,1,3,3,3-hexafluoro-2-[(thiophen-2-yl)formamido]propan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-({111333-hexafluoro-2-[(thiophen-2-yl)formamido]propan-2-yl}amino)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

NC(c1c(NC(C(F)(F)F)(C(F)(F)F)NC(c2cccs2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C17H15F6N3O2S2/c18-16(19,20)15(17(21,22)23,25-13(28)10-6-3-7-29-10)26-14-11(12(24)27)8-4-1-2-5-9(8)30-14/h3,6-7,26H,1-2,4-5H2,(H2,24,27)(H,25,28)

InChI Key

MSEJWBYPMWFBDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.501

Distribution Coefficient, logD

-0.676

Water Solubility, LogSw

-3.98

Polar Surface Area

68.319

Acid Dissociation Constant (pKa)

3.22

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

8010-4234 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-4234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4234?
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What is the minimum amount of 8010-4234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4234
  • 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 8010-4234 available by request