V020-0411 Screening compound: tert-butyl 5-(4-chlorophenyl)-7-methyl-3-{[(1-phenylethyl)carbamoyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V020-0411 Screening compound: tert-butyl 5-(4-chlorophenyl)-7-methyl-3-{[(1-phenylethyl)carbamoyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V020-0411 Screening compound: tert-butyl 5-(4-chlorophenyl)-7-methyl-3-{[(1-phenylethyl)carbamoyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-0411
tert-butyl 5-(4-chlorophenyl)-7-methyl-3-{[(1-phenylethyl)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

V020-0411

Molecular Formula

C28H30ClN3O3S (C28 H30 ClN3 O3 S)

Compound Name

tert-butyl 5-(4-chlorophenyl)-7-methyl-3-{[(1-phenylethyl)carbamoyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

tert-butyl 5-(4-chlorophenyl)-7-methyl-3-{[(1-phenylethyl)carbamoyl]methyl}-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(c1ccccc1)NC(CC(N1C2c(cc3)ccc3Cl)=CSC1=NC(C)=C2C(OC(C)(C)C)=O)=O

InChI

InChI=1S/C28H30ClN3O3S/c1-17(19-9-7-6-8-10-19)30-23(33)15-22-16-36-27-31-18(2)24(26(34)35-28(3,4)5)25(32(22)27)20-11-13-21(29)14-12-20/h6-14,16-17,25H,15H2,1-5H3,(H,30,33)

InChI Key

CEBNHGNZUQTSQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19827847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.08

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.753

Distribution Coefficient, logD

5.748

Water Solubility, LogSw

-6.19

Polar Surface Area

54.883

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with V020-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-0411?
Check Price and Availability of V020-0411, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V020-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-0411
  • 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 V020-0411 available by request