V017-7851 Screening compound: methyl 5-(2,5-dimethylphenyl)-7-ethyl-3-({[(pyridin-3-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V017-7851 Screening compound: methyl 5-(2,5-dimethylphenyl)-7-ethyl-3-({[(pyridin-3-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V017-7851 Screening compound: methyl 5-(2,5-dimethylphenyl)-7-ethyl-3-({[(pyridin-3-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-7851
methyl 5-(2,5-dimethylphenyl)-7-ethyl-3-({[(pyridin-3-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

V017-7851

Molecular Formula

C26H28N4O3S (C26 H28 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(N=C1SC=C(CC(NCc2cnccc2)=O)N1C1c2c(C)ccc(C)c2)=C1C(OC)=O

InChI

InChI=1S/C26H28N4O3S/c1-5-21-23(25(32)33-4)24(20-11-16(2)8-9-17(20)3)30-19(15-34-26(30)29-21)12-22(31)28-14-18-7-6-10-27-13-18/h6-11,13,15,24H,5,12,14H2,1-4H3,(H,28,31)/t24-/m1/s1

InChI Key

NTXZHOCAFYJACT-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19829699

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

476.6

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

3.784

Distribution Coefficient, logD

3.777

Water Solubility, LogSw

-3.56

Polar Surface Area

67.155

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V017-7851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-7851?
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What is the minimum amount of V017-7851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-7851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-7851
  • 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 V017-7851 available by request