3270-0884 Screening compound: ethyl (2Z)-2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3270-0884 Screening compound: ethyl (2Z)-2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
3270-0884 Screening compound: ethyl (2Z)-2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-phenyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3270-0884
ethyl (2Z)-2-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-phenyl-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

3270-0884

Molecular Formula

C39H32ClN3O4S (C39 H32 ClN3 O4 S)

Compound Name

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

SMILES

CCOC(C(C(c(c1ccccc1cc1)c1OC)N1C2=O)=C(c3ccccc3)N=C1S/C2=C\c(cc1C)c(C)n1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C39H32ClN3O4S/c1-5-47-38(45)34-35(26-12-7-6-8-13-26)41-39-43(36(34)33-30-14-10-9-11-25(30)15-20-31(33)46-4)37(44)32(48-39)22-27-21-23(2)42(24(27)3)29-18-16-28(40)17-19-29/h6-22,36H,5H2,1-4H3/t36-/m1/s1

InChI Key

HKAYRHDTCPBZNS-PSXMRANNSA-N

MDL Number (MFCD)

MFCD02109501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

674.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.689

Distribution Coefficient, logD

8.689

Water Solubility, LogSw

-6.71

Polar Surface Area

56.001

Acid Dissociation Constant (pKa)

25.41

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

3270-0884 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3270-0884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3270-0884?
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What is the minimum amount of 3270-0884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3270-0884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3270-0884
  • 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 3270-0884 available by request