8010-4811 Screening compound: 8-({3-[(4-chloro-2-nitrophenyl)amino]propyl}amino)-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8010-4811 Screening compound: 8-({3-[(4-chloro-2-nitrophenyl)amino]propyl}amino)-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8010-4811 Screening compound: 8-({3-[(4-chloro-2-nitrophenyl)amino]propyl}amino)-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4811
8-({3-[(4-chloro-2-nitrophenyl)amino]propyl}amino)-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

8010-4811

Molecular Formula

C17H20ClN7O4 (C17 H20 ClN7 O4)

Compound Name

8-({3-[(4-chloro-2-nitrophenyl)amino]propyl}amino)-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-({3-[(4-chloro-2-nitrophenyl)amino]propyl}amino)-137-trimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(NCCCNc(ccc(Cl)c2)c2[N+]([O-])=O)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C17H20ClN7O4/c1-22-13-14(23(2)17(27)24(3)15(13)26)21-16(22)20-8-4-7-19-11-6-5-10(18)9-12(11)25(28)29/h5-6,9,19H,4,7-8H2,1-3H3,(H,20,21)

InChI Key

VUGVRRIEUJKILO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.666

Distribution Coefficient, logD

2.663

Water Solubility, LogSw

-3.63

Polar Surface Area

98.500

Acid Dissociation Constant (pKa)

16.82

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with 8010-4811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4811?
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What is the minimum amount of 8010-4811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4811
  • 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 8010-4811 available by request