Y044-3719 Screening compound: 3-[(4,6-dimethyl-2-pyrimidinyl)amino]-N-{2-[(4-methoxyphenyl)sulfonyl]ethyl}benzamide

Y044-3719 Screening compound: 3-[(4,6-dimethyl-2-pyrimidinyl)amino]-N-{2-[(4-methoxyphenyl)sulfonyl]ethyl}benzamide
Y044-3719 Screening compound: 3-[(4,6-dimethyl-2-pyrimidinyl)amino]-N-{2-[(4-methoxyphenyl)sulfonyl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-3719
3-[(4,6-dimethyl-2-pyrimidinyl)amino]-N-{2-[(4-methoxyphenyl)sulfonyl]ethyl}benzamide

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

Y044-3719

Molecular Formula

C22H24N4O4S (C22 H24 N4 O4 S)

Compound Name

3-[(4,6-dimethyl-2-pyrimidinyl)amino]-N-{2-[(4-methoxyphenyl)sulfonyl]ethyl}benzamide

IUPAC name

3-[(46-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxybenzenesulfonyl)ethyl]benzamide

SMILES

Cc1nc(Nc2cccc(C(NCCS(c(cc3)ccc3OC)(=O)=O)=O)c2)nc(C)c1

InChI

InChI=1S/C22H24N4O4S/c1-15-13-16(2)25-22(24-15)26-18-6-4-5-17(14-18)21(27)23-11-12-31(28,29)20-9-7-19(30-3)8-10-20/h4-10,13-14H,11-12H2,1-3H3,(H,23,27)(H,24,25,26)

InChI Key

MXGRNHQZIXJLBI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.629

Distribution Coefficient, logD

2.628

Water Solubility, LogSw

-3.31

Polar Surface Area

89.304

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

Y044-3719 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 Y044-3719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-3719?
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What is the minimum amount of Y044-3719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-3719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-3719
  • 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 Y044-3719 available by request