3270-0899 Screening compound: 4-(5-{[(2Z)-5-(5-bromo-2,4-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid

3270-0899 Screening compound: 4-(5-{[(2Z)-5-(5-bromo-2,4-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid
3270-0899 Screening compound: 4-(5-{[(2Z)-5-(5-bromo-2,4-dimethoxyphenyl)-6-(ethoxycarbonyl)-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 3270-0899
4-(5-{[(2Z)-5-(5-bromo-2,4-dimethoxyphenyl)-6-(ethoxycarbonyl)-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

3270-0899

Molecular Formula

C30H25BrN2O8S (C30 H25 BrN2 O8 S)

Compound Name

4-(5-{[(2Z)-5-(5-bromo-2,4-dimethoxyphenyl)-6-(ethoxycarbonyl)-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-(5-{[(2Z)-5-(5-bromo-24-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

CCOC(C(C(c(c(OC)c1)cc(Br)c1OC)N1C2=O)=C(C)N=C1S/C2=C\c1ccc(-c(cc2)ccc2C(O)=O)o1)=O

InChI

InChI=1S/C30H25BrN2O8S/c1-5-40-29(37)25-15(2)32-30-33(26(25)19-13-20(31)23(39-4)14-22(19)38-3)27(34)24(42-30)12-18-10-11-21(41-18)16-6-8-17(9-7-16)28(35)36/h6-14,26H,5H2,1-4H3,(H,35,36)/t26-/m0/s1

InChI Key

XSDFIUVSJLOPJL-SANMLTNESA-N

MDL Number (MFCD)

MFCD02109508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

653.51

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.373

Distribution Coefficient, logD

2.645

Water Solubility, LogSw

-5.31

Polar Surface Area

96.986

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

3270-0899 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3270-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3270-0899?
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What is the minimum amount of 3270-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3270-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3270-0899
  • 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 3270-0899 available by request