D306-0553 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamide

D306-0553 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamide
D306-0553 Screening compound: N-[4-(azepane-1-sulfonyl)phenyl]-2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D306-0553
N-[4-(azepane-1-sulfonyl)phenyl]-2-[(2,6-dimethylpyrimidin-4-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

D306-0553

Molecular Formula

C20H26N4O3S2 (C20 H26 N4 O3 S2)

Compound Name

N-[4-(azepane-1-sulfonyl)phenyl]-2-[(2,6-dimethylpyrimidin-4-yl)sulfanyl]acetamide

IUPAC name

N-[4-(azepane-1-sulfonyl)phenyl]-2-[(26-dimethylpyrimidin-4-yl)sulfanyl]acetamide

SMILES

Cc1cc(SCC(Nc(cc2)ccc2S(N2CCCCCC2)(=O)=O)=O)nc(C)n1

InChI

InChI=1S/C20H26N4O3S2/c1-15-13-20(22-16(2)21-15)28-14-19(25)23-17-7-9-18(10-8-17)29(26,27)24-11-5-3-4-6-12-24/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,23,25)

InChI Key

SZFXLAAGXNQIAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.060

Distribution Coefficient, logD

3.059

Water Solubility, LogSw

-3.43

Polar Surface Area

72.510

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

D306-0553 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 D306-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D306-0553?
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What is the minimum amount of D306-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D306-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D306-0553
  • 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 D306-0553 available by request