8004-7674 Screening compound: 6-(2,4-dihydroxyphenyl)-4,4,6-trimethyl-1-phenyltetrahydro-2(1H)-pyrimidinethione

8004-7674 Screening compound: 6-(2,4-dihydroxyphenyl)-4,4,6-trimethyl-1-phenyltetrahydro-2(1H)-pyrimidinethione
8004-7674 Screening compound: 6-(2,4-dihydroxyphenyl)-4,4,6-trimethyl-1-phenyltetrahydro-2(1H)-pyrimidinethione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-7674
6-(2,4-dihydroxyphenyl)-4,4,6-trimethyl-1-phenyltetrahydro-2(1H)-pyrimidinethione

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

8004-7674

Molecular Formula

C19H22N2O2S (C19 H22 N2 O2 S)

Compound Name

6-(2,4-dihydroxyphenyl)-4,4,6-trimethyl-1-phenyltetrahydro-2(1H)-pyrimidinethione

IUPAC name

6-(24-dihydroxyphenyl)-446-trimethyl-1-phenyl-13-diazinane-2-thione

SMILES

CC(C)(CC(C)(c(ccc(O)c1)c1O)N1c2ccccc2)NC1=S

InChI

InChI=1S/C19H22N2O2S/c1-18(2)12-19(3,15-10-9-14(22)11-16(15)23)21(17(24)20-18)13-7-5-4-6-8-13/h4-11,22-23H,12H2,1-3H3,(H,20,24)/t19-/m0/s1

InChI Key

IRCDAEWEPNZEPA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00387050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.168

Distribution Coefficient, logD

4.164

Water Solubility, LogSw

-4.08

Polar Surface Area

47.522

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

8004-7674 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 8004-7674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-7674?
Check Price and Availability of 8004-7674, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8004-7674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-7674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-7674
  • 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 8004-7674 available by request