Y041-8864 Screening compound: methyl 5-methyl-2-{4-[(4-oxo-3,4-dihydroquinazolin-3-yl)methyl]cyclohexaneamido}-1,3-thiazole-4-carboxylate

Y041-8864 Screening compound: methyl 5-methyl-2-{4-[(4-oxo-3,4-dihydroquinazolin-3-yl)methyl]cyclohexaneamido}-1,3-thiazole-4-carboxylate
Y041-8864 Screening compound: methyl 5-methyl-2-{4-[(4-oxo-3,4-dihydroquinazolin-3-yl)methyl]cyclohexaneamido}-1,3-thiazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8864
methyl 5-methyl-2-{4-[(4-oxo-3,4-dihydroquinazolin-3-yl)methyl]cyclohexaneamido}-1,3-thiazole-4-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

Y041-8864

Molecular Formula

C22H24N4O4S (C22 H24 N4 O4 S)

Compound Name

methyl 5-methyl-2-{4-[(4-oxo-3,4-dihydroquinazolin-3-yl)methyl]cyclohexaneamido}-1,3-thiazole-4-carboxylate

IUPAC name

methyl 5-methyl-2-[(1r4r)-4-[(4-oxo-34-dihydroquinazolin-3-yl)methyl]cyclohexaneamido]-13-thiazole-4-carboxylate

SMILES

Cc1c(C(OC)=O)nc(NC([C@H]2CC[C@H](CN(C=Nc3c4cccc3)C4=O)CC2)=O)s1

InChI

InChI=1S/C22H24N4O4S/c1-13-18(21(29)30-2)24-22(31-13)25-19(27)15-9-7-14(8-10-15)11-26-12-23-17-6-4-3-5-16(17)20(26)28/h3-6,12,14-15H,7-11H2,1-2H3,(H,24,25,27)

InChI Key

HFNDEZWFAZLWRH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.200

Distribution Coefficient, logD

3.013

Water Solubility, LogSw

-3.67

Polar Surface Area

81.613

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with Y041-8864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8864?
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What is the minimum amount of Y041-8864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8864
  • 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 Y041-8864 available by request