7567-0526 Screening compound: 6-amino-1-methyl-5-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

7567-0526 Screening compound: 6-amino-1-methyl-5-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
7567-0526 Screening compound: 6-amino-1-methyl-5-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7567-0526
6-amino-1-methyl-5-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-1,2,3,4-tetrahydropyrimidine-2,4-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

7567-0526

Molecular Formula

C12H11N7O2S (C12 H11 N7 O2 S)

Compound Name

6-amino-1-methyl-5-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

6-amino-1-methyl-5-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]-1234-tetrahydropyrimidine-24-dione

SMILES

CN(C(N)=C(C(N1)=O)Sc2nnnn2-c2ccccc2)C1=O

InChI

InChI=1S/C12H11N7O2S/c1-18-9(13)8(10(20)14-11(18)21)22-12-15-16-17-19(12)7-5-3-2-4-6-7/h2-6H,13H2,1H3,(H,14,20,21)

InChI Key

CBSLAESBEGIFLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05844061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.508

Distribution Coefficient, logD

0.508

Water Solubility, LogSw

-2.09

Polar Surface Area

100.974

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

7567-0526 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7567-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7567-0526?
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What is the minimum amount of 7567-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7567-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7567-0526
  • 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 7567-0526 available by request