8011-6938 Screening compound: 2-({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide

8011-6938 Screening compound: 2-({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
8011-6938 Screening compound: 2-({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6938
2-({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-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

8011-6938

Molecular Formula

C16H16ClN5O3S (C16 H16 ClN5 O3 S)

Compound Name

2-({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide

IUPAC name

2-({7-[(3-chlorophenyl)methyl]-13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide

SMILES

CN(c1c(C(N2C)=O)n(Cc3cccc(Cl)c3)c(SCC(N)=O)n1)C2=O

InChI

InChI=1S/C16H16ClN5O3S/c1-20-13-12(14(24)21(2)16(20)25)22(15(19-13)26-8-11(18)23)7-9-4-3-5-10(17)6-9/h3-6H,7-8H2,1-2H3,(H2,18,23)

InChI Key

TUNPPVXEISLHSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02327281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.356

Distribution Coefficient, logD

2.356

Water Solubility, LogSw

-3.18

Polar Surface Area

76.674

Acid Dissociation Constant (pKa)

15.66

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8011-6938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6938?
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What is the minimum amount of 8011-6938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6938
  • 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 8011-6938 available by request