6036-1643 Screening compound: 3-(4-methylbenzenesulfonyl)-1-[4-(propan-2-yl)phenyl]urea

6036-1643 Screening compound: 3-(4-methylbenzenesulfonyl)-1-[4-(propan-2-yl)phenyl]urea
6036-1643 Screening compound: 3-(4-methylbenzenesulfonyl)-1-[4-(propan-2-yl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 6036-1643
3-(4-methylbenzenesulfonyl)-1-[4-(propan-2-yl)phenyl]urea

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

6036-1643

Molecular Formula

C17H20N2O3S (C17 H20 N2 O3 S)

Compound Name

3-(4-methylbenzenesulfonyl)-1-[4-(propan-2-yl)phenyl]urea

IUPAC name

3-(4-methylbenzenesulfonyl)-1-[4-(propan-2-yl)phenyl]urea

SMILES

CC(C)c(cc1)ccc1NC(NS(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C17H20N2O3S/c1-12(2)14-6-8-15(9-7-14)18-17(20)19-23(21,22)16-10-4-13(3)5-11-16/h4-12H,1-3H3,(H2,18,19,20)

InChI Key

XALIKGAKTNIUFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02632651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.496

Distribution Coefficient, logD

2.008

Water Solubility, LogSw

-4.23

Polar Surface Area

64.279

Acid Dissociation Constant (pKa)

4.91

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 6036-1643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6036-1643?
Check Price and Availability of 6036-1643, 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 6036-1643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6036-1643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6036-1643
  • 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 6036-1643 available by request