V019-8535 Screening compound: ethyl 4-oxo-4-[2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]butanoate

V019-8535 Screening compound: ethyl 4-oxo-4-[2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]butanoate
V019-8535 Screening compound: ethyl 4-oxo-4-[2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-8535
ethyl 4-oxo-4-[2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]butanoate

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

V019-8535

Molecular Formula

C23H24N2O4 (C23 H24 N2 O4)

Compound Name

ethyl 4-oxo-4-[2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]butanoate

IUPAC name

ethyl 4-oxo-4-[2-(5-phenyl-13-benzoxazol-2-yl)pyrrolidin-1-yl]butanoate

SMILES

CCOC(CCC(N(CCC1)C1c1nc(cc(cc2)-c3ccccc3)c2o1)=O)=O

InChI

InChI=1S/C23H24N2O4/c1-2-28-22(27)13-12-21(26)25-14-6-9-19(25)23-24-18-15-17(10-11-20(18)29-23)16-7-4-3-5-8-16/h3-5,7-8,10-11,15,19H,2,6,9,12-14H2,1H3/t19-/m0/s1

InChI Key

NHFMNSORPZVFIB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19969355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.080

Distribution Coefficient, logD

4.080

Water Solubility, LogSw

-4.25

Polar Surface Area

53.388

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with V019-8535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-8535?
Check Price and Availability of V019-8535, 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 V019-8535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-8535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-8535
  • 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 V019-8535 available by request