3871-0630 Screening compound: 4-(5-{[(2Z)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid

3871-0630 Screening compound: 4-(5-{[(2Z)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid
3871-0630 Screening compound: 4-(5-{[(2Z)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3871-0630
4-(5-{[(2Z)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)-3-methylbenzoic 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

3871-0630

Molecular Formula

C27H22N2O6S2 (C27 H22 N2 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c1cccs1)N1C2=O)=C(C)N=C1S/C2=C\c1ccc(-c(cc2)c(C)cc2C(O)=O)o1)=O

InChI

InChI=1S/C27H22N2O6S2/c1-4-34-26(33)22-15(3)28-27-29(23(22)20-6-5-11-36-20)24(30)21(37-27)13-17-8-10-19(35-17)18-9-7-16(25(31)32)12-14(18)2/h5-13,23H,4H2,1-3H3,(H,31,32)/t23-/m1/s1

InChI Key

CDFNXQHPUAHKLW-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD05040624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.61

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

5.573

Distribution Coefficient, logD

2.338

Water Solubility, LogSw

-5.23

Polar Surface Area

82.744

Acid Dissociation Constant (pKa)

4.17

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 3871-0630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3871-0630?
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What is the minimum amount of 3871-0630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3871-0630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3871-0630
  • 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 3871-0630 available by request