D399-3751 Screening compound: ethyl 2-(4-{[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino}phenyl)acetate

D399-3751 Screening compound: ethyl 2-(4-{[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino}phenyl)acetate
D399-3751 Screening compound: ethyl 2-(4-{[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino}phenyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-3751
ethyl 2-(4-{[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino}phenyl)acetate

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

D399-3751

Molecular Formula

C21H23ClN2O3 (C21 H23 ClN2 O3)

Compound Name

ethyl 2-(4-{[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino}phenyl)acetate

IUPAC name

ethyl 2-(4-{[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino}phenyl)acetate

SMILES

CCOC(Cc(cc1)ccc1NC(N(CCC1)C1c(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C21H23ClN2O3/c1-2-27-20(25)14-15-9-11-16(12-10-15)23-21(26)24-13-5-8-19(24)17-6-3-4-7-18(17)22/h3-4,6-7,9-12,19H,2,5,8,13-14H2,1H3,(H,23,26)/t19-/m0/s1

InChI Key

CTCRVSDYIFMUTC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD10702539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.104

Distribution Coefficient, logD

4.104

Water Solubility, LogSw

-4.24

Polar Surface Area

45.655

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D399-3751 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D399-3751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-3751?
Check Price and Availability of D399-3751, 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 D399-3751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-3751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-3751
  • 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 D399-3751 available by request