2388-1045 Screening compound: methyl (2Z)-2-{[2,4-bis(acetyloxy)phenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2388-1045 Screening compound: methyl (2Z)-2-{[2,4-bis(acetyloxy)phenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2388-1045 Screening compound: methyl (2Z)-2-{[2,4-bis(acetyloxy)phenyl]methylidene}-5-(4-methoxyphenyl)-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 2388-1045
methyl (2Z)-2-{[2,4-bis(acetyloxy)phenyl]methylidene}-5-(4-methoxyphenyl)-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

2388-1045

Molecular Formula

C27H24N2O8S (C27 H24 N2 O8 S)

Compound Name

methyl (2Z)-2-{[2,4-bis(acetyloxy)phenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl (2Z)-2-{[24-bis(acetyloxy)phenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(Oc1cc(OC(C)=O)c(/C=C(/C(N2C3c(cc4)ccc4OC)=O)\SC2=NC(C)=C3C(OC)=O)cc1)=O

InChI

InChI=1S/C27H24N2O8S/c1-14-23(26(33)35-5)24(17-6-9-19(34-4)10-7-17)29-25(32)22(38-27(29)28-14)12-18-8-11-20(36-15(2)30)13-21(18)37-16(3)31/h6-13,24H,1-5H3/t24-/m1/s1

InChI Key

ADNUJAJXWQWULX-XMMPIXPASA-N

MDL Number (MFCD)

MFCD01072489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.56

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.177

Distribution Coefficient, logD

3.177

Water Solubility, LogSw

-3.50

Polar Surface Area

95.300

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 2388-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2388-1045?
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What is the minimum amount of 2388-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2388-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2388-1045
  • 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 2388-1045 available by request