V010-3417 Screening compound: ethyl 1-{2-[5-(2,4-dimethoxyphenyl)-6-(methoxycarbonyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl}piperidine-4-carboxylate

V010-3417 Screening compound: ethyl 1-{2-[5-(2,4-dimethoxyphenyl)-6-(methoxycarbonyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl}piperidine-4-carboxylate
V010-3417 Screening compound: ethyl 1-{2-[5-(2,4-dimethoxyphenyl)-6-(methoxycarbonyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-3417
ethyl 1-{2-[5-(2,4-dimethoxyphenyl)-6-(methoxycarbonyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl}piperidine-4-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

V010-3417

Molecular Formula

C27H33N3O7S (C27 H33 N3 O7 S)

Compound Name

ethyl 1-{2-[5-(2,4-dimethoxyphenyl)-6-(methoxycarbonyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{2-[5-(24-dimethoxyphenyl)-6-(methoxycarbonyl)-7-methyl-5H-[13]thiazolo[32-a]pyrimidin-3-yl]acetyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CC(N1C2c(ccc(OC)c3)c3OC)=CSC1=NC(C)=C2C(OC)=O)=O)=O

InChI

InChI=1S/C27H33N3O7S/c1-6-37-25(32)17-9-11-29(12-10-17)22(31)13-18-15-38-27-28-16(2)23(26(33)36-5)24(30(18)27)20-8-7-19(34-3)14-21(20)35-4/h7-8,14-15,17,24H,6,9-13H2,1-5H3/t24-/m1/s1

InChI Key

DLXDVHRIKNFJRU-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19826695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.258

Distribution Coefficient, logD

3.258

Water Solubility, LogSw

-3.24

Polar Surface Area

84.879

Acid Dissociation Constant (pKa)

20.21

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

V010-3417 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 V010-3417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-3417?
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What is the minimum amount of V010-3417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-3417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-3417
  • 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 V010-3417 available by request