8005-4817 Screening compound: methyl 2-(4-chlorobenzenesulfonamido)-3-methylbutanoate

8005-4817 Screening compound: methyl 2-(4-chlorobenzenesulfonamido)-3-methylbutanoate
8005-4817 Screening compound: methyl 2-(4-chlorobenzenesulfonamido)-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4817
methyl 2-(4-chlorobenzenesulfonamido)-3-methylbutanoate

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

8005-4817

Molecular Formula

C12H16ClNO4S (C12 H16 ClNO4 S)

Compound Name

methyl 2-(4-chlorobenzenesulfonamido)-3-methylbutanoate

IUPAC name

methyl 2-(4-chlorobenzenesulfonamido)-3-methylbutanoate

SMILES

CC(C)C(C(OC)=O)NS(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C12H16ClNO4S/c1-8(2)11(12(15)18-3)14-19(16,17)10-6-4-9(13)5-7-10/h4-8,11,14H,1-3H3/t11-/m0/s1

InChI Key

XCGJKDFFRDFNME-NSHDSACASA-N

MDL Number (MFCD)

MFCD00686910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.78

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.974

Distribution Coefficient, logD

2.974

Water Solubility, LogSw

-3.44

Polar Surface Area

63.008

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-7.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

8005-4817 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8005-4817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4817?
Check Price and Availability of 8005-4817, 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 8005-4817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4817
  • 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 8005-4817 available by request