V004-5539 Screening compound: propan-2-yl 3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V004-5539 Screening compound: propan-2-yl 3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V004-5539 Screening compound: propan-2-yl 3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5539
propan-2-yl 3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5-[4-(trifluoromethyl)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

V004-5539

Molecular Formula

C27H25F4N3O3S (C27 H25 F4 N3 O3 S)

Compound Name

propan-2-yl 3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

propan-2-yl 3-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(C)OC(C1=C(C)N=C2SC=C(CC(NCc(cc3)ccc3F)=O)N2C1c1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C27H25F4N3O3S/c1-15(2)37-25(36)23-16(3)33-26-34(24(23)18-6-8-19(9-7-18)27(29,30)31)21(14-38-26)12-22(35)32-13-17-4-10-20(28)11-5-17/h4-11,14-15,24H,12-13H2,1-3H3,(H,32,35)/t24-/m1/s1

InChI Key

JPYYMQVRLWQEAP-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19823690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.384

Distribution Coefficient, logD

5.381

Water Solubility, LogSw

-5.42

Polar Surface Area

56.289

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with V004-5539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5539?
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What is the minimum amount of V004-5539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5539
  • 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 V004-5539 available by request