C562-1174 Screening compound: 4-methyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]pentanamide

C562-1174 Screening compound: 4-methyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]pentanamide
C562-1174 Screening compound: 4-methyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C562-1174
4-methyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]pentanamide

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

C562-1174

Molecular Formula

C23H29N3O5S (C23 H29 N3 O5 S)

Compound Name

4-methyl-2-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]pentanamide

IUPAC name

4-methyl-2-(3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamido)-N-[2-(4-methylphenyl)ethyl]pentanamide

SMILES

CC(C)CC(C(NCCc1ccc(C)cc1)=O)NS(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C23H29N3O5S/c1-15(2)13-19(22(27)24-12-11-17-7-5-16(3)6-8-17)25-32(29,30)18-9-10-20-21(14-18)31-23(28)26(20)4/h5-10,14-15,19,25H,11-13H2,1-4H3,(H,24,27)/t19-/m0/s1

InChI Key

IIUZMGXESDUPIV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14772011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.233

Distribution Coefficient, logD

3.233

Water Solubility, LogSw

-3.84

Polar Surface Area

89.233

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

C562-1174 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C562-1174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C562-1174?
Check Price and Availability of C562-1174, 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 C562-1174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C562-1174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C562-1174
  • 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 C562-1174 available by request