4489-5544 Screening compound: propan-2-yl (2E)-5-(4-chlorophenyl)-7-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4489-5544 Screening compound: propan-2-yl (2E)-5-(4-chlorophenyl)-7-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4489-5544 Screening compound: propan-2-yl (2E)-5-(4-chlorophenyl)-7-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-5544
propan-2-yl (2E)-5-(4-chlorophenyl)-7-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-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

4489-5544

Molecular Formula

C27H24ClN3O3S (C27 H24 ClN3 O3 S)

Compound Name

propan-2-yl (2E)-5-(4-chlorophenyl)-7-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

propan-2-yl (2E)-5-(4-chlorophenyl)-7-methyl-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(C)OC(C(C(c(cc1)ccc1Cl)N1C2=O)=C(C)N=C1S/C2=C/c1cn(C)c2c1cccc2)=O

InChI

InChI=1S/C27H24ClN3O3S/c1-15(2)34-26(33)23-16(3)29-27-31(24(23)17-9-11-19(28)12-10-17)25(32)22(35-27)13-18-14-30(4)21-8-6-5-7-20(18)21/h5-15,24H,1-4H3/t24-/m0/s1

InChI Key

HMGXVFKYRMCSOK-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02190814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.711

Distribution Coefficient, logD

5.711

Water Solubility, LogSw

-6.27

Polar Surface Area

47.986

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

4489-5544 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 4489-5544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-5544?
Check Price and Availability of 4489-5544, 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 4489-5544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-5544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-5544
  • 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 4489-5544 available by request