5604-0116 Screening compound: 2-{4-[(2-bromophenyl)formohydrazido]-4-oxobutan-2-yl}-5-methylhexanoic acid

5604-0116 Screening compound: 2-{4-[(2-bromophenyl)formohydrazido]-4-oxobutan-2-yl}-5-methylhexanoic acid
5604-0116 Screening compound: 2-{4-[(2-bromophenyl)formohydrazido]-4-oxobutan-2-yl}-5-methylhexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5604-0116
2-{4-[(2-bromophenyl)formohydrazido]-4-oxobutan-2-yl}-5-methylhexanoic 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

5604-0116

Molecular Formula

C18H25BrN2O4 (C18 H25 BrN2 O4)

Compound Name

2-{4-[(2-bromophenyl)formohydrazido]-4-oxobutan-2-yl}-5-methylhexanoic acid

IUPAC name

2-{4-[(2-bromophenyl)formohydrazido]-4-oxobutan-2-yl}-5-methylhexanoic acid

SMILES

CC(C)CCC(C(C)CC(NNC(c(cccc1)c1Br)=O)=O)C(O)=O

InChI

InChI=1S/C18H25BrN2O4/c1-11(2)8-9-13(18(24)25)12(3)10-16(22)20-21-17(23)14-6-4-5-7-15(14)19/h4-7,11-13H,8-10H2,1-3H3,(H,20,22)(H,21,23)(H,24,25)

InChI Key

UEGIQMKLDSWLHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01087065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.31

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

2.788

Distribution Coefficient, logD

0.489

Water Solubility, LogSw

-3.41

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

5604-0116 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5604-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5604-0116?
Check Price and Availability of 5604-0116, 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 5604-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5604-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5604-0116
  • 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 5604-0116 available by request