3535-0154 Screening compound: (Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)-N-(2-propoxyphenyl)guanidine

3535-0154 Screening compound: (Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)-N-(2-propoxyphenyl)guanidine
3535-0154 Screening compound: (Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)-N-(2-propoxyphenyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3535-0154
(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)-N-(2-propoxyphenyl)guanidine

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

3535-0154

Molecular Formula

C23H27N5O3S (C23 H27 N5 O3 S)

Compound Name

(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)-N-(2-propoxyphenyl)guanidine

IUPAC name

(Z)-N'-(46-dimethylpyrimidin-2-yl)-N''-(4-methylbenzenesulfonyl)-N-(2-propoxyphenyl)guanidine

SMILES

CCCOc(cccc1)c1N/C(/Nc1nc(C)cc(C)n1)=N/S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C23H27N5O3S/c1-5-14-31-21-9-7-6-8-20(21)26-23(27-22-24-17(3)15-18(4)25-22)28-32(29,30)19-12-10-16(2)11-13-19/h6-13,15H,5,14H2,1-4H3,(H2,24,25,26,27,28)

InChI Key

WPZROIQXGYQBJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02140323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.074

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-4.70

Polar Surface Area

83.956

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

3535-0154 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3535-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3535-0154?
Check Price and Availability of 3535-0154, 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 3535-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3535-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3535-0154
  • 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 3535-0154 available by request