3969-1032 Screening compound: 4-(3-{[(2Z)-5-(2,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid

3969-1032 Screening compound: 4-(3-{[(2Z)-5-(2,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
3969-1032 Screening compound: 4-(3-{[(2Z)-5-(2,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-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 3969-1032
4-(3-{[(2Z)-5-(2,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-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

3969-1032

Molecular Formula

C32H31N3O7S (C32 H31 N3 O7 S)

Compound Name

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

SMILES

CCOC(C(C(c(cc(cc1)OC)c1OC)N1C2=O)=C(C)N=C1S/C2=C\c(cc1C)c(C)n1-c(cc1)ccc1C(O)=O)=O

InChI

InChI=1S/C32H31N3O7S/c1-7-42-31(39)27-18(3)33-32-35(28(27)24-16-23(40-5)12-13-25(24)41-6)29(36)26(43-32)15-21-14-17(2)34(19(21)4)22-10-8-20(9-11-22)30(37)38/h8-16,28H,7H2,1-6H3,(H,37,38)/t28-/m1/s1

InChI Key

NRNAUNILJRBQMG-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD02951661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

601.68

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.432

Distribution Coefficient, logD

2.546

Water Solubility, LogSw

-5.29

Polar Surface Area

91.995

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3969-1032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3969-1032?
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What is the minimum amount of 3969-1032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3969-1032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3969-1032
  • 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 3969-1032 available by request