3272-1005 Screening compound: 4-[(E)-{[2-(9H-fluoren-9-ylsulfanyl)acetamido]imino}methyl]phenyl benzoate

3272-1005 Screening compound: 4-[(E)-{[2-(9H-fluoren-9-ylsulfanyl)acetamido]imino}methyl]phenyl benzoate
3272-1005 Screening compound: 4-[(E)-{[2-(9H-fluoren-9-ylsulfanyl)acetamido]imino}methyl]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3272-1005
4-[(E)-{[2-(9H-fluoren-9-ylsulfanyl)acetamido]imino}methyl]phenyl benzoate

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

3272-1005

Molecular Formula

C29H22N2O3S (C29 H22 N2 O3 S)

Compound Name

4-[(E)-{[2-(9H-fluoren-9-ylsulfanyl)acetamido]imino}methyl]phenyl benzoate

IUPAC name

4-[(E)-{[2-(9H-fluoren-9-ylsulfanyl)acetamido]imino}methyl]phenyl benzoate

SMILES

O=C(CSC1c(cccc2)c2-c2c1cccc2)N/N=C/c(cc1)ccc1OC(c1ccccc1)=O

InChI

InChI=1S/C29H22N2O3S/c32-27(19-35-28-25-12-6-4-10-23(25)24-11-5-7-13-26(24)28)31-30-18-20-14-16-22(17-15-20)34-29(33)21-8-2-1-3-9-21/h1-18,28H,19H2,(H,31,32)

InChI Key

CDFISHZJMCYBDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.039

Distribution Coefficient, logD

6.021

Water Solubility, LogSw

-6.04

Polar Surface Area

55.734

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

3272-1005 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3272-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3272-1005?
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What is the minimum amount of 3272-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3272-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3272-1005
  • 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 3272-1005 available by request