V018-8217 Screening compound: 2-methoxyethyl 3-({[(3-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V018-8217 Screening compound: 2-methoxyethyl 3-({[(3-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V018-8217 Screening compound: 2-methoxyethyl 3-({[(3-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-8217
2-methoxyethyl 3-({[(3-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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

V018-8217

Molecular Formula

C26H26FN3O4S (C26 H26 FN3 O4 S)

Compound Name

2-methoxyethyl 3-({[(3-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

2-methoxyethyl 3-({[(3-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5-phenyl-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(N=C1SC=C(CC(NCc2cc(F)ccc2)=O)N1C1c2ccccc2)=C1C(OCCOC)=O

InChI

InChI=1S/C26H26FN3O4S/c1-17-23(25(32)34-12-11-33-2)24(19-8-4-3-5-9-19)30-21(16-35-26(30)29-17)14-22(31)28-15-18-7-6-10-20(27)13-18/h3-10,13,16,24H,11-12,14-15H2,1-2H3,(H,28,31)/t24-/m1/s1

InChI Key

IXFBBTCELYGOQS-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19974135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.281

Distribution Coefficient, logD

3.280

Water Solubility, LogSw

-3.43

Polar Surface Area

65.247

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with V018-8217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-8217?
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What is the minimum amount of V018-8217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-8217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-8217
  • 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 V018-8217 available by request