V024-8668 Screening compound: ethyl 4-{2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-4-oxobutanoate

V024-8668 Screening compound: ethyl 4-{2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-4-oxobutanoate
V024-8668 Screening compound: ethyl 4-{2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-4-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-8668
ethyl 4-{2-[5-(2,4-difluorophenyl)-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

V024-8668

Molecular Formula

C23H22F2N2O4 (C23 H22 F2 N2 O4)

Compound Name

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

IUPAC name

ethyl 4-{2-[5-(24-difluorophenyl)-13-benzoxazol-2-yl]pyrrolidin-1-yl}-4-oxobutanoate

SMILES

CCOC(CCC(N(CCC1)C1c1nc(cc(cc2)-c(ccc(F)c3)c3F)c2o1)=O)=O

InChI

InChI=1S/C23H22F2N2O4/c1-2-30-22(29)10-9-21(28)27-11-3-4-19(27)23-26-18-12-14(5-8-20(18)31-23)16-7-6-15(24)13-17(16)25/h5-8,12-13,19H,2-4,9-11H2,1H3/t19-/m0/s1

InChI Key

MQAHTSMLPAGXOK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19969542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.44

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

4.328

Distribution Coefficient, logD

4.328

Water Solubility, LogSw

-4.24

Polar Surface Area

53.388

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

V024-8668 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V024-8668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-8668?
Check Price and Availability of V024-8668, 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 V024-8668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-8668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-8668
  • 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 V024-8668 available by request