3184-1275 Screening compound: ethyl (2Z)-2-{[1-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2,7-dimethoxynaphthalen-1-yl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3184-1275 Screening compound: ethyl (2Z)-2-{[1-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2,7-dimethoxynaphthalen-1-yl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
3184-1275 Screening compound: ethyl (2Z)-2-{[1-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2,7-dimethoxynaphthalen-1-yl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3184-1275
ethyl (2Z)-2-{[1-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2,7-dimethoxynaphthalen-1-yl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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

3184-1275

Molecular Formula

C36H34N4O5S2 (C36 H34 N4 O5 S2)

Compound Name

ethyl (2Z)-2-{[1-(3-cyano-4,5-dimethylthiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2,7-dimethoxynaphthalen-1-yl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-2-{[1-(3-cyano-45-dimethylthiophen-2-yl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(27-dimethoxynaphthalen-1-yl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(c1cc(OC)ccc1cc1)c1OC)N1C2=O)=C(C)N=C1S/C2=C\c(cc1C)c(C)n1-c(sc(C)c1C)c1C#N)=O

InChI

InChI=1S/C36H34N4O5S2/c1-9-45-35(42)30-20(4)38-36-40(32(30)31-26-16-25(43-7)12-10-23(26)11-13-28(31)44-8)33(41)29(47-36)15-24-14-18(2)39(21(24)5)34-27(17-37)19(3)22(6)46-34/h10-16,32H,9H2,1-8H3/t32-/m1/s1

InChI Key

IBPCDTXODGFPRU-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD02111902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

666.82

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.014

Distribution Coefficient, logD

7.014

Water Solubility, LogSw

-6.17

Polar Surface Area

81.440

Acid Dissociation Constant (pKa)

26.17

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

3184-1275 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 3184-1275 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3184-1275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3184-1275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3184-1275
  • 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 3184-1275 available by request