V023-2304 Screening compound: 4-{6-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[2-(dimethylamino)ethyl]butanamide

V023-2304 Screening compound: 4-{6-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[2-(dimethylamino)ethyl]butanamide
V023-2304 Screening compound: 4-{6-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[2-(dimethylamino)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-2304
4-{6-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[2-(dimethylamino)ethyl]butanamide

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

V023-2304

Molecular Formula

C24H27ClFN3O5 (C24 H27 ClFN3 O5)

Compound Name

4-{6-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[2-(dimethylamino)ethyl]butanamide

IUPAC name

4-{6-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}-N-[2-(dimethylamino)ethyl]butanamide

SMILES

CN(C)CCNC(CCCN1c(cc(cc2)C(COc(cc3)cc(Cl)c3F)=O)c2OCC1=O)=O

InChI

InChI=1S/C24H27ClFN3O5/c1-28(2)11-9-27-23(31)4-3-10-29-20-12-16(5-8-22(20)34-15-24(29)32)21(30)14-33-17-6-7-19(26)18(25)13-17/h5-8,12-13H,3-4,9-11,14-15H2,1-2H3,(H,27,31)

InChI Key

JWNPPGNXQQKCRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19891387

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

491.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.442

Distribution Coefficient, logD

-0.103

Water Solubility, LogSw

-2.89

Polar Surface Area

72.971

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

8.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V023-2304 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 V023-2304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-2304?
Check Price and Availability of V023-2304, 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 V023-2304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-2304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-2304
  • 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 V023-2304 available by request