V017-9211 Screening compound: ethyl 5-(2,5-dimethoxyphenyl)-3-({[(furan-2-yl)methyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V017-9211 Screening compound: ethyl 5-(2,5-dimethoxyphenyl)-3-({[(furan-2-yl)methyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V017-9211 Screening compound: ethyl 5-(2,5-dimethoxyphenyl)-3-({[(furan-2-yl)methyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-9211
ethyl 5-(2,5-dimethoxyphenyl)-3-({[(furan-2-yl)methyl]carbamoyl}methyl)-7-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

V017-9211

Molecular Formula

C25H27N3O6S (C25 H27 N3 O6 S)

Compound Name

ethyl 5-(2,5-dimethoxyphenyl)-3-({[(furan-2-yl)methyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 5-(25-dimethoxyphenyl)-3-({[(furan-2-yl)methyl]carbamoyl}methyl)-7-methyl-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(C)N=C2SC=C(CC(NCc3ccco3)=O)N2C1c(cc(cc1)OC)c1OC)=O

InChI

InChI=1S/C25H27N3O6S/c1-5-33-24(30)22-15(2)27-25-28(23(22)19-12-17(31-3)8-9-20(19)32-4)16(14-35-25)11-21(29)26-13-18-7-6-10-34-18/h6-10,12,14,23H,5,11,13H2,1-4H3,(H,26,29)/t23-/m1/s1

InChI Key

NQOFWAYKOUGEFQ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19823245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

3.967

Water Solubility, LogSw

-4.12

Polar Surface Area

79.533

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

V017-9211 in Drug Discovery

Included in Screening Libraries

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V017-9211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-9211?
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What is the minimum amount of V017-9211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-9211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-9211
  • 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 V017-9211 available by request