V020-8162 Screening compound: ethyl 7-methyl-3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V020-8162 Screening compound: ethyl 7-methyl-3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V020-8162 Screening compound: ethyl 7-methyl-3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-8162
ethyl 7-methyl-3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-5-(thiophen-2-yl)-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

V020-8162

Molecular Formula

C22H22N4O3S2 (C22 H22 N4 O3 S2)

Compound Name

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

IUPAC name

ethyl 7-methyl-3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-5-(thiophen-2-yl)-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(C)N=C2SC=C(CC(NCc3ccncc3)=O)N2C1c1cccs1)=O

InChI

InChI=1S/C22H22N4O3S2/c1-3-29-21(28)19-14(2)25-22-26(20(19)17-5-4-10-30-17)16(13-31-22)11-18(27)24-12-15-6-8-23-9-7-15/h4-10,13,20H,3,11-12H2,1-2H3,(H,24,27)/t20-/m1/s1

InChI Key

MQXMCSSHGWRENZ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19820722

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.304

Distribution Coefficient, logD

2.301

Water Solubility, LogSw

-2.36

Polar Surface Area

67.057

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

V020-8162 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V020-8162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-8162?
Check Price and Availability of V020-8162, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V020-8162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-8162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-8162
  • 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 V020-8162 available by request