4802-0038 Screening compound: N-{(E)-1-anilino-1-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene}(phenyl)methanesulfonamide

4802-0038 Screening compound: N-{(E)-1-anilino-1-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene}(phenyl)methanesulfonamide
4802-0038 Screening compound: N-{(E)-1-anilino-1-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene}(phenyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4802-0038
N-{(E)-1-anilino-1-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene}(phenyl)methanesulfonamide

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

4802-0038

Molecular Formula

C20H21N5O2S (C20 H21 N5 O2 S)

Compound Name

N-{(E)-1-anilino-1-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene}(phenyl)methanesulfonamide

IUPAC name

n/a

SMILES

Cc1nc(N/C(/Nc2ccccc2)=N/S(Cc2ccccc2)(=O)=O)nc(C)c1

InChI

InChI=1S/C20H21N5O2S/c1-15-13-16(2)22-19(21-15)24-20(23-18-11-7-4-8-12-18)25-28(26,27)14-17-9-5-3-6-10-17/h3-13H,14H2,1-2H3,(H2,21,22,23,24,25)

InChI Key

VNYKOAKEFIPFQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03007925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.999

Distribution Coefficient, logD

2.998

Water Solubility, LogSw

-3.42

Polar Surface Area

78.776

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

4802-0038 in Drug Discovery

Included in Screening Libraries

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 4802-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4802-0038?
Check Price and Availability of 4802-0038, 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 4802-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4802-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4802-0038
  • 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 4802-0038 available by request