F694-0844 Screening compound: methyl 2-({[5-benzamido-2-(pyrrolidin-1-yl)phenyl]carbamoyl}amino)-4-methylbenzoate

F694-0844 Screening compound: methyl 2-({[5-benzamido-2-(pyrrolidin-1-yl)phenyl]carbamoyl}amino)-4-methylbenzoate
F694-0844 Screening compound: methyl 2-({[5-benzamido-2-(pyrrolidin-1-yl)phenyl]carbamoyl}amino)-4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F694-0844
methyl 2-({[5-benzamido-2-(pyrrolidin-1-yl)phenyl]carbamoyl}amino)-4-methylbenzoate

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

F694-0844

Molecular Formula

C27H28N4O4 (C27 H28 N4 O4)

Compound Name

methyl 2-({[5-benzamido-2-(pyrrolidin-1-yl)phenyl]carbamoyl}amino)-4-methylbenzoate

IUPAC name

methyl 2-({[5-benzamido-2-(pyrrolidin-1-yl)phenyl]carbamoyl}amino)-4-methylbenzoate

SMILES

Cc(cc1)cc(NC(Nc(cc(cc2)NC(c3ccccc3)=O)c2N2CCCC2)=O)c1C(OC)=O

InChI

InChI=1S/C27H28N4O4/c1-18-10-12-21(26(33)35-2)22(16-18)29-27(34)30-23-17-20(11-13-24(23)31-14-6-7-15-31)28-25(32)19-8-4-3-5-9-19/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3,(H,28,32)(H2,29,30,34)

InChI Key

DGVGPWSGCOYURZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14964030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.903

Distribution Coefficient, logD

4.902

Water Solubility, LogSw

-4.65

Polar Surface Area

78.928

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

9.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

F694-0844 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F694-0844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F694-0844?
Check Price and Availability of F694-0844, 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 F694-0844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F694-0844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F694-0844
  • 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 F694-0844 available by request