8007-4012 Screening compound: 2-(5-{(Z)-[5-(1,3-benzodioxol-5-yl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-furyl)benzoic acid

8007-4012 Screening compound: 2-(5-{(Z)-[5-(1,3-benzodioxol-5-yl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-furyl)benzoic acid
8007-4012 Screening compound: 2-(5-{(Z)-[5-(1,3-benzodioxol-5-yl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-furyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4012
2-(5-{(Z)-[5-(1,3-benzodioxol-5-yl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}-2-furyl)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

8007-4012

Molecular Formula

C29H22N2O8S (C29 H22 N2 O8 S)

Compound Name

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

IUPAC name

n/a

SMILES

CCOC(C(C(c(cc1)cc2c1OCO2)N1C2=O)=C(C)N=C1S/C2=C\c1ccc(-c(cccc2)c2C(O)=O)o1)=O

InChI

InChI=1S/C29H22N2O8S/c1-3-36-28(35)24-15(2)30-29-31(25(24)16-8-10-21-22(12-16)38-14-37-21)26(32)23(40-29)13-17-9-11-20(39-17)18-6-4-5-7-19(18)27(33)34/h4-13,25H,3,14H2,1-2H3,(H,33,34)/t25-/m1/s1

InChI Key

BLLNFNZBROFLQF-RUZDIDTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.57

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.020

Distribution Coefficient, logD

0.967

Water Solubility, LogSw

-4.41

Polar Surface Area

98.841

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.24

References: we are preparing a list of scientific research reports with 8007-4012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4012?
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What is the minimum amount of 8007-4012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4012
  • 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 8007-4012 available by request