6187-2651 Screening compound: methyl 2,7-dimethyl-3-oxo-5-[4-(pentyloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

6187-2651 Screening compound: methyl 2,7-dimethyl-3-oxo-5-[4-(pentyloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
6187-2651 Screening compound: methyl 2,7-dimethyl-3-oxo-5-[4-(pentyloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-2651
methyl 2,7-dimethyl-3-oxo-5-[4-(pentyloxy)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

6187-2651

Molecular Formula

C21H26N2O4S (C21 H26 N2 O4 S)

Compound Name

methyl 2,7-dimethyl-3-oxo-5-[4-(pentyloxy)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl 27-dimethyl-3-oxo-5-[4-(pentyloxy)phenyl]-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCCCCOc1ccc(C2N(C(C(C)S3)=O)C3=NC(C)=C2C(OC)=O)cc1

InChI

InChI=1S/C21H26N2O4S/c1-5-6-7-12-27-16-10-8-15(9-11-16)18-17(20(25)26-4)13(2)22-21-23(18)19(24)14(3)28-21/h8-11,14,18H,5-7,12H2,1-4H3

InChI Key

WNMAGJFFCAXKIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04446302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.378

Distribution Coefficient, logD

4.378

Water Solubility, LogSw

-4.21

Polar Surface Area

53.857

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with 6187-2651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-2651?
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What is the minimum amount of 6187-2651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-2651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-2651
  • 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 6187-2651 available by request