0981-0514 Screening compound: 1-(2-methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol

0981-0514 Screening compound: 1-(2-methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol
0981-0514 Screening compound: 1-(2-methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0981-0514
1-(2-methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol

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

0981-0514

Molecular Formula

C14H18N2OS (C14 H18 N2 OS)

Compound Name

1-(2-methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol

IUPAC name

1-(2-methoxyphenyl)-446-trimethyl-14-dihydropyrimidine-2-thiol

SMILES

CC(C)(C=C(C)N1c(cccc2)c2OC)N=C1S

InChI

InChI=1S/C14H18N2OS/c1-10-9-14(2,3)15-13(18)16(10)11-7-5-6-8-12(11)17-4/h5-9H,1-4H3,(H,15,18)

InChI Key

ZJUMNHQSUJLSRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00435597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.124

Distribution Coefficient, logD

3.124

Water Solubility, LogSw

-3.25

Polar Surface Area

18.411

Acid Dissociation Constant (pKa)

3.49

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

0981-0514 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0981-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0981-0514?
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What is the minimum amount of 0981-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0981-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0981-0514
  • 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 0981-0514 available by request