3270-0313 Screening compound: ethyl (2Z)-2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3270-0313 Screening compound: ethyl (2Z)-2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
3270-0313 Screening compound: ethyl (2Z)-2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2,5-dimethoxyphenyl)-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 3270-0313
ethyl (2Z)-2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2,5-dimethoxyphenyl)-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

3270-0313

Molecular Formula

C31H30ClN3O5S (C31 H30 ClN3 O5 S)

Compound Name

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

IUPAC name

ethyl (2Z)-2-{[1-(4-chlorophenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(25-dimethoxyphenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc(cc1)OC)c1OC)N1C2=O)=C(C)N=C1S/C2=C\c(cc1C)c(C)n1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C31H30ClN3O5S/c1-7-40-30(37)27-18(3)33-31-35(28(27)24-16-23(38-5)12-13-25(24)39-6)29(36)26(41-31)15-20-14-17(2)34(19(20)4)22-10-8-21(32)9-11-22/h8-16,28H,7H2,1-6H3/t28-/m0/s1

InChI Key

KBYZZFQIHNNXKZ-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD01592154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.12

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.178

Distribution Coefficient, logD

6.178

Water Solubility, LogSw

-6.13

Polar Surface Area

63.586

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.80

References: we are preparing a list of scientific research reports with 3270-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3270-0313?
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What is the minimum amount of 3270-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3270-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3270-0313
  • 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 3270-0313 available by request