2729-1152 Screening compound: 2-[(E)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]-1-benzothiophen-3-yl 3-bromobenzoate

2729-1152 Screening compound: 2-[(E)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]-1-benzothiophen-3-yl 3-bromobenzoate
2729-1152 Screening compound: 2-[(E)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]-1-benzothiophen-3-yl 3-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-1152
2-[(E)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]-1-benzothiophen-3-yl 3-bromobenzoate

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

2729-1152

Molecular Formula

C23H17BrN2O2S (C23 H17 BrN2 O2 S)

Compound Name

2-[(E)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]-1-benzothiophen-3-yl 3-bromobenzoate

IUPAC name

2-[(E)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]-1-benzothiophen-3-yl 3-bromobenzoate

SMILES

CN(c1ccccc1)/N=C/c(sc1c2cccc1)c2OC(c1cccc(Br)c1)=O

InChI

InChI=1S/C23H17BrN2O2S/c1-26(18-10-3-2-4-11-18)25-15-21-22(19-12-5-6-13-20(19)29-21)28-23(27)16-8-7-9-17(24)14-16/h2-15H,1H3

InChI Key

ZDRGAWWHPHBHBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01957950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.302

Distribution Coefficient, logD

6.297

Water Solubility, LogSw

-5.93

Polar Surface Area

33.284

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

2729-1152 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2729-1152 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2729-1152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-1152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-1152
  • 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 2729-1152 available by request