V029-3453 Screening compound: 3,3-dimethyl-N-{1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}butanamide

V029-3453 Screening compound: 3,3-dimethyl-N-{1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}butanamide
V029-3453 Screening compound: 3,3-dimethyl-N-{1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-3453
3,3-dimethyl-N-{1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]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

V029-3453

Molecular Formula

C16H20N4O4 (C16 H20 N4 O4)

Compound Name

3,3-dimethyl-N-{1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}butanamide

IUPAC name

33-dimethyl-N-{1-[3-(3-nitrophenyl)-124-oxadiazol-5-yl]ethyl}butanamide

SMILES

CC(c1nc(-c2cccc([N+]([O-])=O)c2)no1)NC(CC(C)(C)C)=O

InChI

InChI=1S/C16H20N4O4/c1-10(17-13(21)9-16(2,3)4)15-18-14(19-24-15)11-6-5-7-12(8-11)20(22)23/h5-8,10H,9H2,1-4H3,(H,17,21)/t10-/m0/s1

InChI Key

XFWAZRKHMWXFJJ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD19780085

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

332.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.986

Distribution Coefficient, logD

3.986

Water Solubility, LogSw

-4.15

Polar Surface Area

88.932

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with V029-3453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3453?
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What is the minimum amount of V029-3453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3453
  • 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 V029-3453 available by request