V018-3525 Screening compound: tert-butyl 5-(2-fluorophenyl)-7-methyl-3-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V018-3525 Screening compound: tert-butyl 5-(2-fluorophenyl)-7-methyl-3-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V018-3525 Screening compound: tert-butyl 5-(2-fluorophenyl)-7-methyl-3-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3525
tert-butyl 5-(2-fluorophenyl)-7-methyl-3-({[(oxolan-2-yl)methyl]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

V018-3525

Molecular Formula

C25H30FN3O4S (C25 H30 FN3 O4 S)

Compound Name

tert-butyl 5-(2-fluorophenyl)-7-methyl-3-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

tert-butyl 5-(2-fluorophenyl)-7-methyl-3-({[(oxolan-2-yl)methyl]carbamoyl}methyl)-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(C)(C)OC(C1=C(C)N=C2SC=C(CC(NCC3OCCC3)=O)N2C1c(cccc1)c1F)=O

InChI

InChI=1S/C25H30FN3O4S/c1-15-21(23(31)33-25(2,3)4)22(18-9-5-6-10-19(18)26)29-16(14-34-24(29)28-15)12-20(30)27-13-17-8-7-11-32-17/h5-6,9-10,14,17,22H,7-8,11-13H2,1-4H3,(H,27,30)

InChI Key

RBWNRISHRHOHQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19824925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.496

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-3.81

Polar Surface Area

64.374

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.00

V018-3525 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 V018-3525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3525?
Check Price and Availability of V018-3525, 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 V018-3525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3525
  • 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 V018-3525 available by request