8010-1893 Screening compound: 4-(2-fluorophenyl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

8010-1893 Screening compound: 4-(2-fluorophenyl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
8010-1893 Screening compound: 4-(2-fluorophenyl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1893
4-(2-fluorophenyl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

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

8010-1893

Molecular Formula

C18H16FN3OS (C18 H16 FN3 OS)

Compound Name

4-(2-fluorophenyl)-6-methyl-N-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

4-(2-fluorophenyl)-6-methyl-N-phenyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CC(NC(NC1c(cccc2)c2F)=S)=C1C(Nc1ccccc1)=O

InChI

InChI=1S/C18H16FN3OS/c1-11-15(17(23)21-12-7-3-2-4-8-12)16(22-18(24)20-11)13-9-5-6-10-14(13)19/h2-10,16H,1H3,(H,21,23)(H2,20,22,24)/t16-/m1/s1

InChI Key

HCCLTSCLWIANPL-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD00550632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.020

Distribution Coefficient, logD

3.012

Water Solubility, LogSw

-3.48

Polar Surface Area

45.765

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 8010-1893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1893?
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What is the minimum amount of 8010-1893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1893
  • 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 8010-1893 available by request