V017-6664 Screening compound: N-(butan-2-yl)-2-({6-[2-(2-ethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-1,3-oxazole-4-carboxamide

V017-6664 Screening compound: N-(butan-2-yl)-2-({6-[2-(2-ethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-1,3-oxazole-4-carboxamide
V017-6664 Screening compound: N-(butan-2-yl)-2-({6-[2-(2-ethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-6664
N-(butan-2-yl)-2-({6-[2-(2-ethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-1,3-oxazole-4-carboxamide

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

V017-6664

Molecular Formula

C27H29N3O6 (C27 H29 N3 O6)

Compound Name

N-(butan-2-yl)-2-({6-[2-(2-ethylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-1,3-oxazole-4-carboxamide

IUPAC name

N-(butan-2-yl)-2-({6-[2-(2-ethylphenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}methyl)-13-oxazole-4-carboxamide

SMILES

CCC(C)NC(c1coc(CN2c(cc(cc3)C(COc4c(CC)cccc4)=O)c3OCC2=O)n1)=O

InChI

InChI=1S/C27H29N3O6/c1-4-17(3)28-27(33)20-14-36-25(29-20)13-30-21-12-19(10-11-24(21)35-16-26(30)32)22(31)15-34-23-9-7-6-8-18(23)5-2/h6-12,14,17H,4-5,13,15-16H2,1-3H3,(H,28,33)/t17-/m0/s1

InChI Key

KUGYNEAMRBDMLA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19890850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.364

Distribution Coefficient, logD

3.364

Water Solubility, LogSw

-3.72

Polar Surface Area

87.162

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V017-6664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-6664?
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What is the minimum amount of V017-6664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-6664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-6664
  • 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 V017-6664 available by request