3269-0303 Screening compound: N'-[(E)-{2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl}methylidene]-2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide

3269-0303 Screening compound: N'-[(E)-{2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl}methylidene]-2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
3269-0303 Screening compound: N'-[(E)-{2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl}methylidene]-2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3269-0303
N'-[(E)-{2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl}methylidene]-2-(2,5-dimethyl-1H-pyrrol-1-yl)-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

3269-0303

Molecular Formula

C31H32BrN3O3S (C31 H32 BrN3 O3 S)

Compound Name

N'-[(E)-{2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl}methylidene]-2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide

IUPAC name

N'-[(E)-{2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl}methylidene]-2-(25-dimethyl-1H-pyrrol-1-yl)-4567-tetrahydro-1-benzothiophene-3-carbohydrazide

SMILES

Cc1ccc(C)n1-c1c(C(N/N=C/c(cc(c(OCc2ccc(C)cc2)c2)OC)c2Br)=O)c(CCCC2)c2s1

InChI

InChI=1S/C31H32BrN3O3S/c1-19-9-13-22(14-10-19)18-38-27-16-25(32)23(15-26(27)37-4)17-33-34-30(36)29-24-7-5-6-8-28(24)39-31(29)35-20(2)11-12-21(35)3/h9-17H,5-8,18H2,1-4H3,(H,34,36)

InChI Key

HOFHNZWEGUCSLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01824726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.147

Distribution Coefficient, logD

7.147

Water Solubility, LogSw

-5.69

Polar Surface Area

54.377

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

References: we are preparing a list of scientific research reports with 3269-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3269-0303?
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What is the minimum amount of 3269-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3269-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3269-0303
  • 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 3269-0303 available by request