C256-0760 Screening compound: ethyl 3-[({1-[(4-methylphenyl)sulfonyl]cyclopropyl}carbonyl)amino]benzoate

C256-0760 Screening compound: ethyl 3-[({1-[(4-methylphenyl)sulfonyl]cyclopropyl}carbonyl)amino]benzoate
C256-0760 Screening compound: ethyl 3-[({1-[(4-methylphenyl)sulfonyl]cyclopropyl}carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C256-0760
ethyl 3-[({1-[(4-methylphenyl)sulfonyl]cyclopropyl}carbonyl)amino]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

C256-0760

Molecular Formula

C20H21NO5S (C20 H21 NO5 S)

Compound Name

ethyl 3-[({1-[(4-methylphenyl)sulfonyl]cyclopropyl}carbonyl)amino]benzoate

IUPAC name

n/a

SMILES

CCOC(c1cccc(NC(C2(CC2)S(c2ccc(C)cc2)(=O)=O)=O)c1)=O

InChI

InChI=1S/C20H21NO5S/c1-3-26-18(22)15-5-4-6-16(13-15)21-19(23)20(11-12-20)27(24,25)17-9-7-14(2)8-10-17/h4-10,13H,3,11-12H2,1-2H3,(H,21,23)

InChI Key

MVVDYWVMXFXBCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.792

Distribution Coefficient, logD

3.792

Water Solubility, LogSw

-3.84

Polar Surface Area

74.107

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C256-0760 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

SH2 Library (10483 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C256-0760 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C256-0760?
Check Price and Availability of C256-0760, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C256-0760 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C256-0760
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C256-0760
  • 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 C256-0760 available by request