1683-6686 Screening compound: methyl 2-[(3,5-dinitrophenyl)formamido]-4-methylpentanoate

1683-6686 Screening compound: methyl 2-[(3,5-dinitrophenyl)formamido]-4-methylpentanoate
1683-6686 Screening compound: methyl 2-[(3,5-dinitrophenyl)formamido]-4-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-6686
methyl 2-[(3,5-dinitrophenyl)formamido]-4-methylpentanoate

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

1683-6686

Molecular Formula

C14H17N3O7 (C14 H17 N3 O7)

Compound Name

methyl 2-[(3,5-dinitrophenyl)formamido]-4-methylpentanoate

IUPAC name

methyl 2-[(35-dinitrophenyl)formamido]-4-methylpentanoate

SMILES

CC(C)CC(C(OC)=O)NC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C14H17N3O7/c1-8(2)4-12(14(19)24-3)15-13(18)9-5-10(16(20)21)7-11(6-9)17(22)23/h5-8,12H,4H2,1-3H3,(H,15,18)/t12-/m0/s1

InChI Key

IFCHCEHVZJTNTP-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00382774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.3

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.344

Distribution Coefficient, logD

2.338

Water Solubility, LogSw

-2.59

Polar Surface Area

112.491

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

-6.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 1683-6686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-6686?
Check Price and Availability of 1683-6686, 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 1683-6686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-6686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-6686
  • 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 1683-6686 available by request