3969-0992 Screening compound: 4-(3-{[(2Z)-6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-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

3969-0992 Screening compound: 4-(3-{[(2Z)-6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-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
3969-0992 Screening compound: 4-(3-{[(2Z)-6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-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 3969-0992
4-(3-{[(2Z)-6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-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

3969-0992

Molecular Formula

C31H29N3O6S (C31 H29 N3 O6 S)

Compound Name

4-(3-{[(2Z)-6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-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)-6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-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(cc1)ccc1OC)N1C2=O)=C(C)N=C1S/C2=C\c(cc1C)c(C)n1-c(cc1)ccc1C(O)=O)=O

InChI

InChI=1S/C31H29N3O6S/c1-6-40-30(38)26-18(3)32-31-34(27(26)20-9-13-24(39-5)14-10-20)28(35)25(41-31)16-22-15-17(2)33(19(22)4)23-11-7-21(8-12-23)29(36)37/h7-16,27H,6H2,1-5H3,(H,36,37)/t27-/m1/s1

InChI Key

DOCCKRGDBKLDJK-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD02951660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.65

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.234

Distribution Coefficient, logD

2.347

Water Solubility, LogSw

-4.90

Polar Surface Area

84.364

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.60

References: we are preparing a list of scientific research reports with 3969-0992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3969-0992?
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What is the minimum amount of 3969-0992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3969-0992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3969-0992
  • 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 3969-0992 available by request