V019-4165 Screening compound: 2-methoxyethyl 3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-5-(3,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V019-4165 Screening compound: 2-methoxyethyl 3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-5-(3,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V019-4165 Screening compound: 2-methoxyethyl 3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-5-(3,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-4165
2-methoxyethyl 3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-5-(3,4-dimethoxyphenyl)-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

V019-4165

Molecular Formula

C29H31N3O8S (C29 H31 N3 O8 S)

Compound Name

2-methoxyethyl 3-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)-5-(3,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

2-methoxyethyl 3-({[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}methyl)-5-(34-dimethoxyphenyl)-7-methyl-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(N=C1SC=C(CC(NCc(cc2)cc3c2OCO3)=O)N1C1c(cc2)cc(OC)c2OC)=C1C(OCCOC)=O

InChI

InChI=1S/C29H31N3O8S/c1-17-26(28(34)38-10-9-35-2)27(19-6-8-21(36-3)23(12-19)37-4)32-20(15-41-29(32)31-17)13-25(33)30-14-18-5-7-22-24(11-18)40-16-39-22/h5-8,11-12,15,27H,9-10,13-14,16H2,1-4H3,(H,30,33)/t27-/m1/s1

InChI Key

IHFKVGGYORTQHR-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19823651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.65

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.688

Distribution Coefficient, logD

2.687

Water Solubility, LogSw

-3.07

Polar Surface Area

97.623

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.48

V019-4165 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 V019-4165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-4165?
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What is the minimum amount of V019-4165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-4165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-4165
  • 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 V019-4165 available by request