V017-8752 Screening compound: methyl 3-[(cyclopropylcarbamoyl)methyl]-5-(3,4-dimethoxyphenyl)-7-ethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V017-8752 Screening compound: methyl 3-[(cyclopropylcarbamoyl)methyl]-5-(3,4-dimethoxyphenyl)-7-ethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V017-8752 Screening compound: methyl 3-[(cyclopropylcarbamoyl)methyl]-5-(3,4-dimethoxyphenyl)-7-ethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-8752
methyl 3-[(cyclopropylcarbamoyl)methyl]-5-(3,4-dimethoxyphenyl)-7-ethyl-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

V017-8752

Molecular Formula

C23H27N3O5S (C23 H27 N3 O5 S)

Compound Name

methyl 3-[(cyclopropylcarbamoyl)methyl]-5-(3,4-dimethoxyphenyl)-7-ethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl 3-[(cyclopropylcarbamoyl)methyl]-5-(34-dimethoxyphenyl)-7-ethyl-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCC(N=C1SC=C(CC(NC2CC2)=O)N1C1c(cc2)cc(OC)c2OC)=C1C(OC)=O

InChI

InChI=1S/C23H27N3O5S/c1-5-16-20(22(28)31-4)21(13-6-9-17(29-2)18(10-13)30-3)26-15(12-32-23(26)25-16)11-19(27)24-14-7-8-14/h6,9-10,12,14,21H,5,7-8,11H2,1-4H3,(H,24,27)/t21-/m1/s1

InChI Key

TUCJLKACNZGPBN-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19829768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.690

Distribution Coefficient, logD

2.688

Water Solubility, LogSw

-3.04

Polar Surface Area

72.954

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with V017-8752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-8752?
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What is the minimum amount of V017-8752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-8752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-8752
  • 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 V017-8752 available by request