V025-2642 Screening compound: methyl 3-{[benzyl(methyl)carbamoyl]methyl}-5-(2,5-dimethoxyphenyl)-7-ethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V025-2642 Screening compound: methyl 3-{[benzyl(methyl)carbamoyl]methyl}-5-(2,5-dimethoxyphenyl)-7-ethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V025-2642 Screening compound: methyl 3-{[benzyl(methyl)carbamoyl]methyl}-5-(2,5-dimethoxyphenyl)-7-ethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-2642
methyl 3-{[benzyl(methyl)carbamoyl]methyl}-5-(2,5-dimethoxyphenyl)-7-ethyl-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

V025-2642

Molecular Formula

C28H31N3O5S (C28 H31 N3 O5 S)

Compound Name

methyl 3-{[benzyl(methyl)carbamoyl]methyl}-5-(2,5-dimethoxyphenyl)-7-ethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl 3-{[benzyl(methyl)carbamoyl]methyl}-5-(25-dimethoxyphenyl)-7-ethyl-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCC(N=C1SC=C(CC(N(C)Cc2ccccc2)=O)N1C1c(cc(cc2)OC)c2OC)=C1C(OC)=O

InChI

InChI=1S/C28H31N3O5S/c1-6-22-25(27(33)36-5)26(21-15-20(34-3)12-13-23(21)35-4)31-19(17-37-28(31)29-22)14-24(32)30(2)16-18-10-8-7-9-11-18/h7-13,15,17,26H,6,14,16H2,1-5H3/t26-/m1/s1

InChI Key

HWBNCINVVVELJX-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19829739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.840

Distribution Coefficient, logD

4.839

Water Solubility, LogSw

-4.73

Polar Surface Area

64.235

Acid Dissociation Constant (pKa)

19.05

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

V025-2642 in Drug Discovery

Included in Screening Libraries

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V025-2642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-2642?
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What is the minimum amount of V025-2642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-2642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-2642
  • 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 V025-2642 available by request