8015-1539 Screening compound: 6',6'-dimethyl-2'-(methylsulfanyl)-4-(thiophen-2-yl)-3,4,5',6'-tetrahydro-3'H-spiro[1-benzopyran-2,4'-pyrimidine]-7,8-diol

8015-1539 Screening compound: 6',6'-dimethyl-2'-(methylsulfanyl)-4-(thiophen-2-yl)-3,4,5',6'-tetrahydro-3'H-spiro[1-benzopyran-2,4'-pyrimidine]-7,8-diol
8015-1539 Screening compound: 6',6'-dimethyl-2'-(methylsulfanyl)-4-(thiophen-2-yl)-3,4,5',6'-tetrahydro-3'H-spiro[1-benzopyran-2,4'-pyrimidine]-7,8-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-1539
6',6'-dimethyl-2'-(methylsulfanyl)-4-(thiophen-2-yl)-3,4,5',6'-tetrahydro-3'H-spiro[1-benzopyran-2,4'-pyrimidine]-7,8-diol

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

8015-1539

Molecular Formula

C19H22N2O3S2 (C19 H22 N2 O3 S2)

Compound Name

6',6'-dimethyl-2'-(methylsulfanyl)-4-(thiophen-2-yl)-3,4,5',6'-tetrahydro-3'H-spiro[1-benzopyran-2,4'-pyrimidine]-7,8-diol

IUPAC name

6'6'-dimethyl-2'-(methylsulfanyl)-4-(thiophen-2-yl)-345'6'-tetrahydro-3'H-spiro[1-benzopyran-24'-pyrimidine]-78-diol

SMILES

CC(C)(CC(CC1c2cccs2)(N2)Oc3c1ccc(O)c3O)N=C2SC

InChI

InChI=1S/C19H22N2O3S2/c1-18(2)10-19(21-17(20-18)25-3)9-12(14-5-4-8-26-14)11-6-7-13(22)15(23)16(11)24-19/h4-8,12,22-23H,9-10H2,1-3H3,(H,20,21)

InChI Key

MBCPPOKJQJROEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855927

Chemical and Physical Properties

Saltdata

HI

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.055

Distribution Coefficient, logD

3.933

Water Solubility, LogSw

-3.88

Polar Surface Area

61.101

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.10

8015-1539 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-1539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-1539?
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What is the minimum amount of 8015-1539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-1539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-1539
  • 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 8015-1539 available by request