V021-5642 Screening compound: methyl 5-(2,3-dimethoxyphenyl)-7-ethyl-3-({[(pyridin-2-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V021-5642 Screening compound: methyl 5-(2,3-dimethoxyphenyl)-7-ethyl-3-({[(pyridin-2-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V021-5642 Screening compound: methyl 5-(2,3-dimethoxyphenyl)-7-ethyl-3-({[(pyridin-2-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-5642
methyl 5-(2,3-dimethoxyphenyl)-7-ethyl-3-({[(pyridin-2-yl)methyl]carbamoyl}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

V021-5642

Molecular Formula

C26H28N4O5S (C26 H28 N4 O5 S)

Compound Name

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

IUPAC name

methyl 5-(23-dimethoxyphenyl)-7-ethyl-3-({[(pyridin-2-yl)methyl]carbamoyl}methyl)-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCC(N=C1SC=C(CC(NCc2ncccc2)=O)N1C1c(cccc2OC)c2OC)=C1C(OC)=O

InChI

InChI=1S/C26H28N4O5S/c1-5-19-22(25(32)35-4)23(18-10-8-11-20(33-2)24(18)34-3)30-17(15-36-26(30)29-19)13-21(31)28-14-16-9-6-7-12-27-16/h6-12,15,23H,5,13-14H2,1-4H3,(H,28,31)/t23-/m1/s1

InChI Key

FUNIRGDGXWOKED-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19826456

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

508.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.021

Distribution Coefficient, logD

3.020

Water Solubility, LogSw

-3.27

Polar Surface Area

82.528

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

V021-5642 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-5642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-5642?
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What is the minimum amount of V021-5642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-5642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-5642
  • 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 V021-5642 available by request