V021-5697 Screening compound: prop-2-en-1-yl 5-(2,4-dimethoxyphenyl)-7-methyl-3-({[(pyridin-3-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V021-5697 Screening compound: prop-2-en-1-yl 5-(2,4-dimethoxyphenyl)-7-methyl-3-({[(pyridin-3-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V021-5697 Screening compound: prop-2-en-1-yl 5-(2,4-dimethoxyphenyl)-7-methyl-3-({[(pyridin-3-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-5697
prop-2-en-1-yl 5-(2,4-dimethoxyphenyl)-7-methyl-3-({[(pyridin-3-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

V021-5697

Molecular Formula

C27H28N4O5S (C27 H28 N4 O5 S)

Compound Name

prop-2-en-1-yl 5-(2,4-dimethoxyphenyl)-7-methyl-3-({[(pyridin-3-yl)methyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

prop-2-en-1-yl 5-(24-dimethoxyphenyl)-7-methyl-3-({[(pyridin-3-yl)methyl]carbamoyl}methyl)-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(N=C1SC=C(CC(NCc2cnccc2)=O)N1C1c(ccc(OC)c2)c2OC)=C1C(OCC=C)=O

InChI

InChI=1S/C27H28N4O5S/c1-5-11-36-26(33)24-17(2)30-27-31(25(24)21-9-8-20(34-3)13-22(21)35-4)19(16-37-27)12-23(32)29-15-18-7-6-10-28-14-18/h5-10,13-14,16,25H,1,11-12,15H2,2-4H3,(H,29,32)/t25-/m1/s1

InChI Key

OSTTYRXWGFTNLV-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19828636

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

520.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.899

Distribution Coefficient, logD

2.897

Water Solubility, LogSw

-3.14

Polar Surface Area

81.596

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

V021-5697 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 V021-5697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-5697?
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What is the minimum amount of V021-5697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-5697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-5697
  • 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 V021-5697 available by request