1185-0763 Screening compound: 2-[(3-methyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid

1185-0763 Screening compound: 2-[(3-methyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid
1185-0763 Screening compound: 2-[(3-methyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1185-0763
2-[(3-methyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid

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

1185-0763

Molecular Formula

C11H14N4O4S (C11 H14 N4 O4 S)

Compound Name

2-[(3-methyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid

IUPAC name

2-[(3-methyl-26-dioxo-7-propyl-2367-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid

SMILES

CCCn1c(SCC(O)=O)nc(N(C)C(N2)=O)c1C2=O

InChI

InChI=1S/C11H14N4O4S/c1-3-4-15-7-8(12-11(15)20-5-6(16)17)14(2)10(19)13-9(7)18/h3-5H2,1-2H3,(H,16,17)(H,13,18,19)

InChI Key

VRMVCQBKLALMND-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.829

Distribution Coefficient, logD

-2.615

Water Solubility, LogSw

-1.91

Polar Surface Area

80.834

Acid Dissociation Constant (pKa)

3.96

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 1185-0763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1185-0763?
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What is the minimum amount of 1185-0763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1185-0763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1185-0763
  • 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 1185-0763 available by request