0975-0029 Screening compound: N'-(2-butyl-2-hydroxyhexanoyl)-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide

0975-0029 Screening compound: N'-(2-butyl-2-hydroxyhexanoyl)-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
0975-0029 Screening compound: N'-(2-butyl-2-hydroxyhexanoyl)-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0975-0029
N'-(2-butyl-2-hydroxyhexanoyl)-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide

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

0975-0029

Molecular Formula

C25H34N2O3S (C25 H34 N2 O3 S)

Compound Name

N'-(2-butyl-2-hydroxyhexanoyl)-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide

IUPAC name

N'-(2-butyl-2-hydroxyhexanoyl)-N-phenyl-4567-tetrahydro-1-benzothiophene-3-carbohydrazide

SMILES

CCCCC(CCCC)(C(NN(C(c1csc2c1CCCC2)=O)c1ccccc1)=O)O

InChI

InChI=1S/C25H34N2O3S/c1-3-5-16-25(30,17-6-4-2)24(29)26-27(19-12-8-7-9-13-19)23(28)21-18-31-22-15-11-10-14-20(21)22/h7-9,12-13,18,30H,3-6,10-11,14-17H2,1-2H3,(H,26,29)

InChI Key

SHFHMQLIYAYXJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.658

Distribution Coefficient, logD

5.579

Water Solubility, LogSw

-5.23

Polar Surface Area

56.706

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

References: we are preparing a list of scientific research reports with 0975-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0975-0029?
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What is the minimum amount of 0975-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0975-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0975-0029
  • 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 0975-0029 available by request