V019-5244 Screening compound: benzyl 5-(2-fluorophenyl)-7-methyl-3-{[(2-methylpropyl)carbamoyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V019-5244 Screening compound: benzyl 5-(2-fluorophenyl)-7-methyl-3-{[(2-methylpropyl)carbamoyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V019-5244 Screening compound: benzyl 5-(2-fluorophenyl)-7-methyl-3-{[(2-methylpropyl)carbamoyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-5244
benzyl 5-(2-fluorophenyl)-7-methyl-3-{[(2-methylpropyl)carbamoyl]methyl}-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

V019-5244

Molecular Formula

C27H28FN3O3S (C27 H28 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CNC(CC(N1C2c(cccc3)c3F)=CSC1=NC(C)=C2C(OCc1ccccc1)=O)=O

InChI

InChI=1S/C27H28FN3O3S/c1-17(2)14-29-23(32)13-20-16-35-27-30-18(3)24(26(33)34-15-19-9-5-4-6-10-19)25(31(20)27)21-11-7-8-12-22(21)28/h4-12,16-17,25H,13-15H2,1-3H3,(H,29,32)/t25-/m1/s1

InChI Key

HFCMFXCWKPWTGL-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19828066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.6

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

4.787

Distribution Coefficient, logD

4.787

Water Solubility, LogSw

-4.84

Polar Surface Area

56.986

Acid Dissociation Constant (pKa)

16.13

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

V019-5244 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 V019-5244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-5244?
Check Price and Availability of V019-5244, 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 V019-5244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-5244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-5244
  • 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 V019-5244 available by request