V010-9656 Screening compound: 4-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-6-[2-(2-methylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

V010-9656 Screening compound: 4-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-6-[2-(2-methylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
V010-9656 Screening compound: 4-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-6-[2-(2-methylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9656
4-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-6-[2-(2-methylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

V010-9656

Molecular Formula

C27H33N3O5 (C27 H33 N3 O5)

Compound Name

4-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-6-[2-(2-methylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

4-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-6-[2-(2-methylphenoxy)acetyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CCN(CC1)CCN1C(CCCN1c(cc(cc2)C(COc3c(C)cccc3)=O)c2OCC1=O)=O

InChI

InChI=1S/C27H33N3O5/c1-3-28-13-15-29(16-14-28)26(32)9-6-12-30-22-17-21(10-11-25(22)35-19-27(30)33)23(31)18-34-24-8-5-4-7-20(24)2/h4-5,7-8,10-11,17H,3,6,9,12-16,18-19H2,1-2H3

InChI Key

XWSUEZSJDGFYAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19891355

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.018

Distribution Coefficient, logD

1.698

Water Solubility, LogSw

-2.27

Polar Surface Area

64.537

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with V010-9656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9656?
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What is the minimum amount of V010-9656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9656
  • 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 V010-9656 available by request