3969-1027 Screening compound: 4-chloro-3-(5-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid

3969-1027 Screening compound: 4-chloro-3-(5-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid
3969-1027 Screening compound: 4-chloro-3-(5-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3969-1027
4-chloro-3-(5-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic 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

3969-1027

Molecular Formula

C28H20ClFN2O6S (C28 H20 ClFN2 O6 S)

Compound Name

4-chloro-3-(5-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid

IUPAC name

4-chloro-3-(5-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

CCOC(C(C(c(cc1)ccc1F)N1C2=O)=C(C)N=C1S/C2=C\c1ccc(-c(cc(cc2)C(O)=O)c2Cl)o1)=O

InChI

InChI=1S/C28H20ClFN2O6S/c1-3-37-27(36)23-14(2)31-28-32(24(23)15-4-7-17(30)8-5-15)25(33)22(39-28)13-18-9-11-21(38-18)19-12-16(26(34)35)6-10-20(19)29/h4-13,24H,3H2,1-2H3,(H,34,35)/t24-/m0/s1

InChI Key

YNSFYKOVUJWGGJ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02632131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.99

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.295

Distribution Coefficient, logD

2.924

Water Solubility, LogSw

-5.76

Polar Surface Area

81.725

Acid Dissociation Constant (pKa)

4.03

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 3969-1027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3969-1027?
Check Price and Availability of 3969-1027, 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 3969-1027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3969-1027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3969-1027
  • 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 3969-1027 available by request