8019-3513 Screening compound: 8-bromo-1,3-dimethyl-7-(1-oxo-1-phenylhexan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8019-3513 Screening compound: 8-bromo-1,3-dimethyl-7-(1-oxo-1-phenylhexan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8019-3513 Screening compound: 8-bromo-1,3-dimethyl-7-(1-oxo-1-phenylhexan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3513
8-bromo-1,3-dimethyl-7-(1-oxo-1-phenylhexan-2-yl)-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

8019-3513

Molecular Formula

C19H21BrN4O3 (C19 H21 BrN4 O3)

Compound Name

8-bromo-1,3-dimethyl-7-(1-oxo-1-phenylhexan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-bromo-13-dimethyl-7-(1-oxo-1-phenylhexan-2-yl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCCC(C(c1ccccc1)=O)n1c(Br)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C19H21BrN4O3/c1-4-5-11-13(15(25)12-9-7-6-8-10-12)24-14-16(21-18(24)20)22(2)19(27)23(3)17(14)26/h6-10,13H,4-5,11H2,1-3H3/t13-/m0/s1

InChI Key

HRBSDSMVOCULSW-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD09064426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.035

Distribution Coefficient, logD

4.035

Water Solubility, LogSw

-3.98

Polar Surface Area

58.323

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

8019-3513 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-3513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3513?
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What is the minimum amount of 8019-3513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3513
  • 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 8019-3513 available by request