C527-1036 Screening compound: 2-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-N-[2-(4-ethylpiperazin-1-yl)ethyl]acetamide

C527-1036 Screening compound: 2-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-N-[2-(4-ethylpiperazin-1-yl)ethyl]acetamide
C527-1036 Screening compound: 2-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-N-[2-(4-ethylpiperazin-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C527-1036
2-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-N-[2-(4-ethylpiperazin-1-yl)ethyl]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

C527-1036

Molecular Formula

C21H29ClN4O3S (C21 H29 ClN4 O3 S)

Compound Name

2-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}-N-[2-(4-ethylpiperazin-1-yl)ethyl]acetamide

IUPAC name

2-{[2-(4-chlorophenyl)-5-methyl-13-oxazol-4-yl]methanesulfinyl}-N-[2-(4-ethylpiperazin-1-yl)ethyl]acetamide

SMILES

CCN1CCN(CCNC(CS(Cc2c(C)oc(-c(cc3)ccc3Cl)n2)=O)=O)CC1

InChI

InChI=1S/C21H31ClN4O3S/c1-3-25-10-12-26(13-11-25)9-8-23-20(27)15-30(28)14-19-16(2)29-21(24-19)17-4-6-18(22)7-5-17/h4-7H,3,8-15,30H2,1-2H3,(H,23,27)

InChI Key

KMHKAFMACJLOEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14766673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.01

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.493

Distribution Coefficient, logD

0.701

Water Solubility, LogSw

-2.92

Polar Surface Area

64.965

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

C527-1036 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C527-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C527-1036?
Check Price and Availability of C527-1036, 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 C527-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C527-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C527-1036
  • 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 C527-1036 available by request