V017-1003 Screening compound: methyl 5-(4-chlorophenyl)-3-({[2-(1,3-dioxolan-2-yl)ethyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V017-1003 Screening compound: methyl 5-(4-chlorophenyl)-3-({[2-(1,3-dioxolan-2-yl)ethyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V017-1003 Screening compound: methyl 5-(4-chlorophenyl)-3-({[2-(1,3-dioxolan-2-yl)ethyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-1003
methyl 5-(4-chlorophenyl)-3-({[2-(1,3-dioxolan-2-yl)ethyl]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

V017-1003

Molecular Formula

C22H24ClN3O5S (C22 H24 ClN3 O5 S)

Compound Name

methyl 5-(4-chlorophenyl)-3-({[2-(1,3-dioxolan-2-yl)ethyl]carbamoyl}methyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl 5-(4-chlorophenyl)-3-({[2-(13-dioxolan-2-yl)ethyl]carbamoyl}methyl)-7-methyl-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(N=C1SC=C(CC(NCCC2OCCO2)=O)N1C1c(cc2)ccc2Cl)=C1C(OC)=O

InChI

InChI=1S/C22H24ClN3O5S/c1-13-19(21(28)29-2)20(14-3-5-15(23)6-4-14)26-16(12-32-22(26)25-13)11-17(27)24-8-7-18-30-9-10-31-18/h3-6,12,18,20H,7-11H2,1-2H3,(H,24,27)/t20-/m0/s1

InChI Key

AKSSRWXJSLFODK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19974565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.148

Distribution Coefficient, logD

2.147

Water Solubility, LogSw

-3.28

Polar Surface Area

74.410

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with V017-1003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-1003?
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What is the minimum amount of V017-1003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-1003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-1003
  • 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 V017-1003 available by request