C301-7705 Screening compound: ethyl 4-({[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]carbamoyl}amino)benzoate

C301-7705 Screening compound: ethyl 4-({[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]carbamoyl}amino)benzoate
C301-7705 Screening compound: ethyl 4-({[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7705
ethyl 4-({[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]carbamoyl}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

C301-7705

Molecular Formula

C23H27N5O4 (C23 H27 N5 O4)

Compound Name

ethyl 4-({[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]carbamoyl}amino)benzoate

IUPAC name

ethyl 4-({[13-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-23-dihydro-1H-13-benzodiazol-5-yl]carbamoyl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1NC(Nc(c(N1CCCC1)c1)cc(N2C)c1N(C)C2=O)=O)=O

InChI

InChI=1S/C23H27N5O4/c1-4-32-21(29)15-7-9-16(10-8-15)24-22(30)25-17-13-19-20(27(3)23(31)26(19)2)14-18(17)28-11-5-6-12-28/h7-10,13-14H,4-6,11-12H2,1-3H3,(H2,24,25,30)

InChI Key

UWNHGLMWOCWADM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.577

Distribution Coefficient, logD

4.574

Water Solubility, LogSw

-4.25

Polar Surface Area

73.799

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

10.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C301-7705 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C301-7705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7705?
Check Price and Availability of C301-7705, 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 C301-7705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7705
  • 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 C301-7705 available by request