V018-5755 Screening compound: ethyl 4-{2-[5-(3-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-4-oxobutanoate

V018-5755 Screening compound: ethyl 4-{2-[5-(3-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-4-oxobutanoate
V018-5755 Screening compound: ethyl 4-{2-[5-(3-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-4-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5755
ethyl 4-{2-[5-(3-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-4-oxobutanoate

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

V018-5755

Molecular Formula

C24H26N2O4 (C24 H26 N2 O4)

Compound Name

ethyl 4-{2-[5-(3-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-4-oxobutanoate

IUPAC name

ethyl 4-{2-[5-(3-methylphenyl)-13-benzoxazol-2-yl]pyrrolidin-1-yl}-4-oxobutanoate

SMILES

CCOC(CCC(N(CCC1)C1c1nc(cc(cc2)-c3cc(C)ccc3)c2o1)=O)=O

InChI

InChI=1S/C24H26N2O4/c1-3-29-23(28)12-11-22(27)26-13-5-8-20(26)24-25-19-15-18(9-10-21(19)30-24)17-7-4-6-16(2)14-17/h4,6-7,9-10,14-15,20H,3,5,8,11-13H2,1-2H3/t20-/m0/s1

InChI Key

MIHGZBPGWSANHG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19969418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

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

4.499

Distribution Coefficient, logD

4.499

Water Solubility, LogSw

-4.28

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

37.50

V018-5755 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V018-5755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5755?
Check Price and Availability of V018-5755, 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 V018-5755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5755
  • 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 V018-5755 available by request