1900-3028 Screening compound: ethyl (2E)-2-{[4-(furan-2-carbonyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

1900-3028 Screening compound: ethyl (2E)-2-{[4-(furan-2-carbonyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
1900-3028 Screening compound: ethyl (2E)-2-{[4-(furan-2-carbonyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1900-3028
ethyl (2E)-2-{[4-(furan-2-carbonyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-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

1900-3028

Molecular Formula

C28H22N2O6S (C28 H22 N2 O6 S)

Compound Name

ethyl (2E)-2-{[4-(furan-2-carbonyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2E)-2-{[4-(furan-2-carbonyloxy)phenyl]methylidene}-7-methyl-3-oxo-5-phenyl-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c1ccccc1)N1C2=O)=C(C)N=C1S/C2=C/c(cc1)ccc1OC(c1ccco1)=O)=O

InChI

InChI=1S/C28H22N2O6S/c1-3-34-27(33)23-17(2)29-28-30(24(23)19-8-5-4-6-9-19)25(31)22(37-28)16-18-11-13-20(14-12-18)36-26(32)21-10-7-15-35-21/h4-16,24H,3H2,1-2H3/t24-/m1/s1

InChI Key

BMWDAZCMEHUHOB-XMMPIXPASA-N

MDL Number (MFCD)

MFCD01072654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.709

Distribution Coefficient, logD

4.709

Water Solubility, LogSw

-4.47

Polar Surface Area

74.704

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

1900-3028 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 1900-3028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1900-3028?
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What is the minimum amount of 1900-3028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1900-3028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1900-3028
  • 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 1900-3028 available by request