V027-8096 Screening compound: 4-{6-[2-(4-tert-butylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-ethylbutanamide

V027-8096 Screening compound: 4-{6-[2-(4-tert-butylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-ethylbutanamide
V027-8096 Screening compound: 4-{6-[2-(4-tert-butylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-ethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8096
4-{6-[2-(4-tert-butylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-ethylbutanamide

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

V027-8096

Molecular Formula

C26H32N2O5 (C26 H32 N2 O5)

Compound Name

4-{6-[2-(4-tert-butylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-ethylbutanamide

IUPAC name

4-{6-[2-(4-tert-butylphenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}-N-ethylbutanamide

SMILES

CCNC(CCCN1c(cc(cc2)C(COc3ccc(C(C)(C)C)cc3)=O)c2OCC1=O)=O

InChI

InChI=1S/C26H32N2O5/c1-5-27-24(30)7-6-14-28-21-15-18(8-13-23(21)33-17-25(28)31)22(29)16-32-20-11-9-19(10-12-20)26(2,3)4/h8-13,15H,5-7,14,16-17H2,1-4H3,(H,27,30)

InChI Key

QYDVTQQVRQECGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19891395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.094

Distribution Coefficient, logD

3.094

Water Solubility, LogSw

-3.44

Polar Surface Area

68.890

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

V027-8096 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 V027-8096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8096?
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What is the minimum amount of V027-8096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8096
  • 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 V027-8096 available by request