3854-0032 Screening compound: N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide

3854-0032 Screening compound: N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
3854-0032 Screening compound: N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3854-0032
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide

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

3854-0032

Molecular Formula

C20H22N6O3S2 (C20 H22 N6 O3 S2)

Compound Name

N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide

IUPAC name

N-{4-[(46-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-[(46-dimethylpyrimidin-2-yl)sulfanyl]acetamide

SMILES

Cc1nc(NS(c(cc2)ccc2NC(CSc2nc(C)cc(C)n2)=O)(=O)=O)nc(C)c1

InChI

InChI=1S/C20H22N6O3S2/c1-12-9-13(2)22-19(21-12)26-31(28,29)17-7-5-16(6-8-17)25-18(27)11-30-20-23-14(3)10-15(4)24-20/h5-10H,11H2,1-4H3,(H,25,27)(H,21,22,26)

InChI Key

YGYVRPKVIZMLQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02020595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.108

Distribution Coefficient, logD

1.626

Water Solubility, LogSw

-2.98

Polar Surface Area

99.990

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3854-0032 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 3854-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3854-0032?
Check Price and Availability of 3854-0032, 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 3854-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3854-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3854-0032
  • 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 3854-0032 available by request