3270-0568 Screening compound: ethyl (2Z)-2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3270-0568 Screening compound: ethyl (2Z)-2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
3270-0568 Screening compound: ethyl (2Z)-2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3270-0568
ethyl (2Z)-2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,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

3270-0568

Molecular Formula

C30H28ClN3O4S (C30 H28 ClN3 O4 S)

Compound Name

ethyl (2Z)-2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-2-{[1-(4-chlorophenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1OC)N1C2=O)=C(C)N=C1S/C2=C\c(cc1C)c(C)n1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C30H28ClN3O4S/c1-6-38-29(36)26-18(3)32-30-34(27(26)20-7-13-24(37-5)14-8-20)28(35)25(39-30)16-21-15-17(2)33(19(21)4)23-11-9-22(31)10-12-23/h7-16,27H,6H2,1-5H3/t27-/m0/s1

InChI Key

ICCWAKTUEASIHF-MHZLTWQESA-N

MDL Number (MFCD)

MFCD01592607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.09

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.980

Distribution Coefficient, logD

5.980

Water Solubility, LogSw

-6.32

Polar Surface Area

55.956

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with 3270-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3270-0568?
Check Price and Availability of 3270-0568, 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 3270-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3270-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3270-0568
  • 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 3270-0568 available by request