3786-2111 Screening compound: ethyl (2E)-2-{[4-bromo-5-(morpholin-4-yl)furan-2-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3786-2111 Screening compound: ethyl (2E)-2-{[4-bromo-5-(morpholin-4-yl)furan-2-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
3786-2111 Screening compound: ethyl (2E)-2-{[4-bromo-5-(morpholin-4-yl)furan-2-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 3786-2111
ethyl (2E)-2-{[4-bromo-5-(morpholin-4-yl)furan-2-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

3786-2111

Molecular Formula

C26H26BrN3O6S (C26 H26 BrN3 O6 S)

Compound Name

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

IUPAC name

ethyl (2E)-2-{[4-bromo-5-(morpholin-4-yl)furan-2-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/c1cc(Br)c(N2CCOCC2)o1)=O

InChI

InChI=1S/C26H26BrN3O6S/c1-4-35-25(32)21-15(2)28-26-30(22(21)16-5-7-17(33-3)8-6-16)23(31)20(37-26)14-18-13-19(27)24(36-18)29-9-11-34-12-10-29/h5-8,13-14,22H,4,9-12H2,1-3H3/t22-/m0/s1

InChI Key

HNSJNPVKILRWJK-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02809434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.320

Distribution Coefficient, logD

4.320

Water Solubility, LogSw

-4.29

Polar Surface Area

73.033

Acid Dissociation Constant (pKa)

27.34

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with 3786-2111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3786-2111?
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What is the minimum amount of 3786-2111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3786-2111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3786-2111
  • 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 3786-2111 available by request