5628-0675 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}acetamide

5628-0675 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}acetamide
5628-0675 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5628-0675
2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}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

5628-0675

Molecular Formula

C21H26N6O5S (C21 H26 N6 O5 S)

Compound Name

2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}acetamide

IUPAC name

2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)-N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}acetamide

SMILES

CC(CC1)CCN1S(c(cc1)ccc1NC(Cn1c(C(N(C)C(N2C)=O)=O)c2nc1)=O)(=O)=O

InChI

InChI=1S/C21H26N6O5S/c1-14-8-10-27(11-9-14)33(31,32)16-6-4-15(5-7-16)23-17(28)12-26-13-22-19-18(26)20(29)25(3)21(30)24(19)2/h4-7,13-14H,8-12H2,1-3H3,(H,23,28)

InChI Key

ZVDUSPVSAZWZHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03616242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.578

Distribution Coefficient, logD

1.577

Water Solubility, LogSw

-2.65

Polar Surface Area

97.821

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 5628-0675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5628-0675?
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What is the minimum amount of 5628-0675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5628-0675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5628-0675
  • 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 5628-0675 available by request