C517-4001 Screening compound: N-(3,4-difluorophenyl)-2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide

C517-4001 Screening compound: N-(3,4-difluorophenyl)-2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide
C517-4001 Screening compound: N-(3,4-difluorophenyl)-2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-4001
N-(3,4-difluorophenyl)-2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide

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

C517-4001

Molecular Formula

C20H19F2N3O5S (C20 H19 F2 N3 O5 S)

Compound Name

N-(3,4-difluorophenyl)-2-[N-(4-methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetamide

IUPAC name

N-(34-difluorophenyl)-2-[N-(4-methoxyphenyl)35-dimethyl-12-oxazole-4-sulfonamido]acetamide

SMILES

Cc1noc(C)c1S(N(CC(Nc(cc1)cc(F)c1F)=O)c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C20H19F2N3O5S/c1-12-20(13(2)30-24-12)31(27,28)25(15-5-7-16(29-3)8-6-15)11-19(26)23-14-4-9-17(21)18(22)10-14/h4-10H,11H2,1-3H3,(H,23,26)

InChI Key

TYIZGMPPXMUQMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.157

Distribution Coefficient, logD

3.148

Water Solubility, LogSw

-3.47

Polar Surface Area

84.524

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C517-4001 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C517-4001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-4001?
Check Price and Availability of C517-4001, 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 C517-4001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-4001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-4001
  • 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 C517-4001 available by request