5604-0122 Screening compound: 5-methyl-2-[4-oxo-4-(phenylformohydrazido)butan-2-yl]hexanoic acid

5604-0122 Screening compound: 5-methyl-2-[4-oxo-4-(phenylformohydrazido)butan-2-yl]hexanoic acid
5604-0122 Screening compound: 5-methyl-2-[4-oxo-4-(phenylformohydrazido)butan-2-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5604-0122
5-methyl-2-[4-oxo-4-(phenylformohydrazido)butan-2-yl]hexanoic acid

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

5604-0122

Molecular Formula

C18H26N2O4 (C18 H26 N2 O4)

Compound Name

5-methyl-2-[4-oxo-4-(phenylformohydrazido)butan-2-yl]hexanoic acid

IUPAC name

5-methyl-2-[4-oxo-4-(phenylformohydrazido)butan-2-yl]hexanoic acid

SMILES

CC(C)CCC(C(C)CC(NNC(c1ccccc1)=O)=O)C(O)=O

InChI

InChI=1S/C18H26N2O4/c1-12(2)9-10-15(18(23)24)13(3)11-16(21)19-20-17(22)14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)

InChI Key

LCUWJBCVSJTRGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01089194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.287

Distribution Coefficient, logD

-0.012

Water Solubility, LogSw

-2.73

Polar Surface Area

79.901

Acid Dissociation Constant (pKa)

5.10

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

5604-0122 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5604-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5604-0122?
Check Price and Availability of 5604-0122, 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 5604-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5604-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5604-0122
  • 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 5604-0122 available by request