C436-2098 Screening compound: ethyl 4-{2-[N-(4-methylphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetyl}piperazine-1-carboxylate

C436-2098 Screening compound: ethyl 4-{2-[N-(4-methylphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetyl}piperazine-1-carboxylate
C436-2098 Screening compound: ethyl 4-{2-[N-(4-methylphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C436-2098
ethyl 4-{2-[N-(4-methylphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetyl}piperazine-1-carboxylate

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

C436-2098

Molecular Formula

C21H28N4O6S (C21 H28 N4 O6 S)

Compound Name

ethyl 4-{2-[N-(4-methylphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]acetyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{2-[N-(4-methylphenyl)35-dimethyl-12-oxazole-4-sulfonamido]acetyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CN(c1ccc(C)cc1)S(c1c(C)onc1C)(=O)=O)=O)=O

InChI

InChI=1S/C21H28N4O6S/c1-5-30-21(27)24-12-10-23(11-13-24)19(26)14-25(18-8-6-15(2)7-9-18)32(28,29)20-16(3)22-31-17(20)4/h6-9H,5,10-14H2,1-4H3

InChI Key

OXUIQWYWNZJAFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.729

Distribution Coefficient, logD

1.729

Water Solubility, LogSw

-2.50

Polar Surface Area

93.003

Acid Dissociation Constant (pKa)

21.05

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C436-2098 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C436-2098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C436-2098?
Check Price and Availability of C436-2098, 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 C436-2098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C436-2098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C436-2098
  • 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 C436-2098 available by request