4489-4230 Screening compound: ethyl (2Z)-5-(3-ethoxy-4-methoxyphenyl)-2-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4489-4230 Screening compound: ethyl (2Z)-5-(3-ethoxy-4-methoxyphenyl)-2-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4489-4230 Screening compound: ethyl (2Z)-5-(3-ethoxy-4-methoxyphenyl)-2-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-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 4489-4230
ethyl (2Z)-5-(3-ethoxy-4-methoxyphenyl)-2-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-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

4489-4230

Molecular Formula

C31H29N3O9S (C31 H29 N3 O9 S)

Compound Name

ethyl (2Z)-5-(3-ethoxy-4-methoxyphenyl)-2-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-5-(3-ethoxy-4-methoxyphenyl)-2-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)cc(OCC)c1OC)N1C2=O)=C(C)N=C1S/C2=C\c1ccc(-c(ccc(OC)c2)c2[N+]([O-])=O)o1)=O

InChI

InChI=1S/C31H29N3O9S/c1-6-41-25-14-18(8-12-24(25)40-5)28-27(30(36)42-7-2)17(3)32-31-33(28)29(35)26(44-31)16-20-10-13-23(43-20)21-11-9-19(39-4)15-22(21)34(37)38/h8-16,28H,6-7H2,1-5H3/t28-/m1/s1

InChI Key

ICXKMSRJMBPJHQ-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD05037516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

619.65

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.518

Distribution Coefficient, logD

5.518

Water Solubility, LogSw

-5.53

Polar Surface Area

108.782

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.80

4489-4230 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4489-4230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-4230?
Check Price and Availability of 4489-4230, 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 4489-4230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-4230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-4230
  • 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 4489-4230 available by request