F120-0113 Screening compound: 1,4-dimethyl 2-[({2-[2-(4-methylphenyl)-1H-1,3-benzodiazol-1-yl]ethyl}carbamoyl)amino]benzene-1,4-dicarboxylate

F120-0113 Screening compound: 1,4-dimethyl 2-[({2-[2-(4-methylphenyl)-1H-1,3-benzodiazol-1-yl]ethyl}carbamoyl)amino]benzene-1,4-dicarboxylate
F120-0113 Screening compound: 1,4-dimethyl 2-[({2-[2-(4-methylphenyl)-1H-1,3-benzodiazol-1-yl]ethyl}carbamoyl)amino]benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F120-0113
1,4-dimethyl 2-[({2-[2-(4-methylphenyl)-1H-1,3-benzodiazol-1-yl]ethyl}carbamoyl)amino]benzene-1,4-dicarboxylate

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

F120-0113

Molecular Formula

C27H26N4O5 (C27 H26 N4 O5)

Compound Name

1,4-dimethyl 2-[({2-[2-(4-methylphenyl)-1H-1,3-benzodiazol-1-yl]ethyl}carbamoyl)amino]benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-[({2-[2-(4-methylphenyl)-1H-13-benzodiazol-1-yl]ethyl}carbamoyl)amino]benzene-14-dicarboxylate

SMILES

Cc(cc1)ccc1-c1nc(cccc2)c2n1CCNC(Nc(cc(cc1)C(OC)=O)c1C(OC)=O)=O

InChI

InChI=1S/C27H26N4O5/c1-17-8-10-18(11-9-17)24-29-21-6-4-5-7-23(21)31(24)15-14-28-27(34)30-22-16-19(25(32)35-2)12-13-20(22)26(33)36-3/h4-13,16H,14-15H2,1-3H3,(H2,28,30,34)

InChI Key

GPVQVOISGKYFST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.329

Distribution Coefficient, logD

5.312

Water Solubility, LogSw

-5.33

Polar Surface Area

85.262

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

F120-0113 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F120-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F120-0113?
Check Price and Availability of F120-0113, 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 F120-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F120-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F120-0113
  • 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 F120-0113 available by request