3969-0945 Screening compound: 2-(2,6-dichloro-4-{[(2Z)-5-(2,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}phenoxy)acetic acid

3969-0945 Screening compound: 2-(2,6-dichloro-4-{[(2Z)-5-(2,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}phenoxy)acetic acid
3969-0945 Screening compound: 2-(2,6-dichloro-4-{[(2Z)-5-(2,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3969-0945
2-(2,6-dichloro-4-{[(2Z)-5-(2,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}phenoxy)acetic acid

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

3969-0945

Molecular Formula

C27H24Cl2N2O8S (C27 H24 Cl2 N2 O8 S)

Compound Name

2-(2,6-dichloro-4-{[(2Z)-5-(2,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}phenoxy)acetic acid

IUPAC name

2-(26-dichloro-4-{[(2Z)-5-(25-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidin-2-ylidene]methyl}phenoxy)acetic acid

SMILES

CCOC(C(C(c(cc(cc1)OC)c1OC)N1C2=O)=C(C)N=C1S/C2=C\c(cc1Cl)cc(Cl)c1OCC(O)=O)=O

InChI

InChI=1S/C27H24Cl2N2O8S/c1-5-38-26(35)22-13(2)30-27-31(23(22)16-11-15(36-3)6-7-19(16)37-4)25(34)20(40-27)10-14-8-17(28)24(18(29)9-14)39-12-21(32)33/h6-11,23H,5,12H2,1-4H3,(H,32,33)/t23-/m0/s1

InChI Key

QZRRGANWCNOZGB-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02951659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

607.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.652

Distribution Coefficient, logD

1.415

Water Solubility, LogSw

-5.62

Polar Surface Area

96.978

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 3969-0945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3969-0945?
Check Price and Availability of 3969-0945, 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 3969-0945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3969-0945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3969-0945
  • 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 3969-0945 available by request