V019-7854 Screening compound: ethyl 5-[3-(benzyloxy)phenyl]-3-{[(butan-2-yl)carbamoyl]methyl}-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V019-7854 Screening compound: ethyl 5-[3-(benzyloxy)phenyl]-3-{[(butan-2-yl)carbamoyl]methyl}-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V019-7854 Screening compound: ethyl 5-[3-(benzyloxy)phenyl]-3-{[(butan-2-yl)carbamoyl]methyl}-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-7854
ethyl 5-[3-(benzyloxy)phenyl]-3-{[(butan-2-yl)carbamoyl]methyl}-7-methyl-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

V019-7854

Molecular Formula

C29H33N3O4S (C29 H33 N3 O4 S)

Compound Name

ethyl 5-[3-(benzyloxy)phenyl]-3-{[(butan-2-yl)carbamoyl]methyl}-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 5-[3-(benzyloxy)phenyl]-3-{[(butan-2-yl)carbamoyl]methyl}-7-methyl-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCC(C)NC(CC(N1C2c3cc(OCc4ccccc4)ccc3)=CSC1=NC(C)=C2C(OCC)=O)=O

InChI

InChI=1S/C29H33N3O4S/c1-5-19(3)30-25(33)16-23-18-37-29-31-20(4)26(28(34)35-6-2)27(32(23)29)22-13-10-14-24(15-22)36-17-21-11-8-7-9-12-21/h7-15,18-19,27H,5-6,16-17H2,1-4H3,(H,30,33)

InChI Key

MHODBODVHLPBQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19823146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.032

Distribution Coefficient, logD

5.031

Water Solubility, LogSw

-4.88

Polar Surface Area

63.551

Acid Dissociation Constant (pKa)

15.95

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with V019-7854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-7854?
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What is the minimum amount of V019-7854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-7854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-7854
  • 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 V019-7854 available by request