3969-0749 Screening compound: 4-(3-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid

3969-0749 Screening compound: 4-(3-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
3969-0749 Screening compound: 4-(3-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3969-0749
4-(3-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-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

3969-0749

Molecular Formula

C35H28FN3O5S (C35 H28 FN3 O5 S)

Compound Name

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

IUPAC name

4-(3-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-3-oxo-7-phenyl-2H3H5H-[13]thiazolo[32-a]pyrimidin-2-ylidene]methyl}-25-dimethyl-1H-pyrrol-1-yl)benzoic acid

SMILES

CCOC(C(C(c(cc1)ccc1F)N1C2=O)=C(c3ccccc3)N=C1S/C2=C\c(cc1C)c(C)n1-c(cc1)ccc1C(O)=O)=O

InChI

InChI=1S/C35H28FN3O5S/c1-4-44-34(43)29-30(22-8-6-5-7-9-22)37-35-39(31(29)23-10-14-26(36)15-11-23)32(40)28(45-35)19-25-18-20(2)38(21(25)3)27-16-12-24(13-17-27)33(41)42/h5-19,31H,4H2,1-3H3,(H,41,42)/t31-/m1/s1

InChI Key

USCSOQWYYAMWJP-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD02951650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

621.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.928

Distribution Coefficient, logD

4.042

Water Solubility, LogSw

-5.62

Polar Surface Area

77.050

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 3969-0749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3969-0749?
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What is the minimum amount of 3969-0749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3969-0749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3969-0749
  • 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 3969-0749 available by request