3184-0826 Screening compound: 4-(5-{[(2Z)-6-(ethoxycarbonyl)-5-[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid

3184-0826 Screening compound: 4-(5-{[(2Z)-6-(ethoxycarbonyl)-5-[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}furan-2-yl)benzoic acid
3184-0826 Screening compound: 4-(5-{[(2Z)-6-(ethoxycarbonyl)-5-[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]-3-oxo-7-phenyl-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 3184-0826
4-(5-{[(2Z)-6-(ethoxycarbonyl)-5-[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]-3-oxo-7-phenyl-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

3184-0826

Molecular Formula

C38H34N2O7S (C38 H34 N2 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c(cc1C(C)C)c(C)cc1OC)N1C2=O)=C(c3ccccc3)N=C1S/C2=C\c1ccc(-c(cc2)ccc2C(O)=O)o1)=O

InChI

InChI=1S/C38H34N2O7S/c1-6-46-37(44)32-33(24-10-8-7-9-11-24)39-38-40(34(32)28-20-27(21(2)3)30(45-5)18-22(28)4)35(41)31(48-38)19-26-16-17-29(47-26)23-12-14-25(15-13-23)36(42)43/h7-21,34H,6H2,1-5H3,(H,42,43)/t34-/m1/s1

InChI Key

IWQULJLAAOTBCU-UUWRZZSWSA-N

MDL Number (MFCD)

MFCD02086529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

662.76

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

8.850

Distribution Coefficient, logD

5.122

Water Solubility, LogSw

-5.60

Polar Surface Area

89.585

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 3184-0826 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3184-0826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3184-0826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3184-0826
  • 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 3184-0826 available by request