6049-1691 Screening compound: methyl 5-{(Z)-1-[5-(3-chlorophenyl)-2-furyl]methylidene}-2a-methyl-6-oxo-2,2a-dihydro-7aH-[1]benzofuro[2,3-e]cyclopropa[d][1,3]thiazolo[3,2-a]pyrimidine-2(6H)-carboxylate

6049-1691 Screening compound: methyl 5-{(Z)-1-[5-(3-chlorophenyl)-2-furyl]methylidene}-2a-methyl-6-oxo-2,2a-dihydro-7aH-[1]benzofuro[2,3-e]cyclopropa[d][1,3]thiazolo[3,2-a]pyrimidine-2(6H)-carboxylate
6049-1691 Screening compound: methyl 5-{(Z)-1-[5-(3-chlorophenyl)-2-furyl]methylidene}-2a-methyl-6-oxo-2,2a-dihydro-7aH-[1]benzofuro[2,3-e]cyclopropa[d][1,3]thiazolo[3,2-a]pyrimidine-2(6H)-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-1691
methyl 5-{(Z)-1-[5-(3-chlorophenyl)-2-furyl]methylidene}-2a-methyl-6-oxo-2,2a-dihydro-7aH-[1]benzofuro[2,3-e]cyclopropa[d][1,3]thiazolo[3,2-a]pyrimidine-2(6H)-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

6049-1691

Molecular Formula

C27H19ClN2O5S (C27 H19 ClN2 O5 S)

Compound Name

methyl 5-{(Z)-1-[5-(3-chlorophenyl)-2-furyl]methylidene}-2a-methyl-6-oxo-2,2a-dihydro-7aH-[1]benzofuro[2,3-e]cyclopropa[d][1,3]thiazolo[3,2-a]pyrimidine-2(6H)-carboxylate

IUPAC name

methyl (7Z)-7-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-3-methyl-8-oxo-17-oxa-6-thia-49-diazapentacyclo[8.7.0.0^{13}.0^{59}.0^{1116}]heptadeca-411(16)1214-tetraene-2-carboxylate

SMILES

CC(C1C(OC)=O)(C1(C1N2C3=O)Oc4c1cccc4)N=C2S/C3=C\c1ccc(-c2cccc(Cl)c2)o1

InChI

InChI=1S/C27H19ClN2O5S/c1-26-21(24(32)33-2)27(26)22(17-8-3-4-9-19(17)35-27)30-23(31)20(36-25(30)29-26)13-16-10-11-18(34-16)14-6-5-7-15(28)12-14/h3-13,21-22H,1-2H3

InChI Key

WQZCEPIOPJANHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.116

Distribution Coefficient, logD

6.116

Water Solubility, LogSw

-6.07

Polar Surface Area

62.791

Acid Dissociation Constant (pKa)

19.62

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 6049-1691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-1691?
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What is the minimum amount of 6049-1691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-1691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-1691
  • 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 6049-1691 available by request