2985-0246 Screening compound: methyl 2-(4-acetamidobenzenesulfonamido)-3-methylbutanoate

2985-0246 Screening compound: methyl 2-(4-acetamidobenzenesulfonamido)-3-methylbutanoate
2985-0246 Screening compound: methyl 2-(4-acetamidobenzenesulfonamido)-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2985-0246
methyl 2-(4-acetamidobenzenesulfonamido)-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

2985-0246

Molecular Formula

C14H20N2O5S (C14 H20 N2 O5 S)

Compound Name

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

IUPAC name

n/a

SMILES

CC(C)C(C(OC)=O)NS(c(cc1)ccc1NC(C)=O)(=O)=O

InChI

InChI=1S/C14H20N2O5S/c1-9(2)13(14(18)21-4)16-22(19,20)12-7-5-11(6-8-12)15-10(3)17/h5-9,13,16H,1-4H3,(H,15,17)/t13-/m0/s1

InChI Key

HEAZTECDIDBCLF-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01115357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.580

Distribution Coefficient, logD

1.580

Water Solubility, LogSw

-2.25

Polar Surface Area

86.270

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

2985-0246 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Integrin Receptors Targeted library (1715 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 2985-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2985-0246?
Check Price and Availability of 2985-0246, 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 2985-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2985-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2985-0246
  • 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 2985-0246 available by request