C301-0642 Screening compound: 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[4-(morpholine-4-sulfonyl)phenyl]thiourea

C301-0642 Screening compound: 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[4-(morpholine-4-sulfonyl)phenyl]thiourea
C301-0642 Screening compound: 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[4-(morpholine-4-sulfonyl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0642
3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[4-(morpholine-4-sulfonyl)phenyl]thiourea

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

C301-0642

Molecular Formula

C22H21ClN4O5S2 (C22 H21 ClN4 O5 S2)

Compound Name

3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[4-(morpholine-4-sulfonyl)phenyl]thiourea

IUPAC name

3-[3-(2-chlorophenyl)-5-methyl-12-oxazole-4-carbonyl]-1-[4-(morpholine-4-sulfonyl)phenyl]thiourea

SMILES

Cc1c(C(NC(Nc(cc2)ccc2S(N2CCOCC2)(=O)=O)=S)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C22H21ClN4O5S2/c1-14-19(20(26-32-14)17-4-2-3-5-18(17)23)21(28)25-22(33)24-15-6-8-16(9-7-15)34(29,30)27-10-12-31-13-11-27/h2-9H,10-13H2,1H3,(H2,24,25,28,33)

InChI Key

BIHQDYQMRYKXOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.02

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.342

Distribution Coefficient, logD

3.342

Water Solubility, LogSw

-4.04

Polar Surface Area

94.819

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

-5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C301-0642 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0642?
Check Price and Availability of C301-0642, 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 C301-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0642
  • 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 C301-0642 available by request