V028-1780 Screening compound: N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-({[2-(morpholin-4-yl)ethyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

V028-1780 Screening compound: N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-({[2-(morpholin-4-yl)ethyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
V028-1780 Screening compound: N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-({[2-(morpholin-4-yl)ethyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-1780
N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-({[2-(morpholin-4-yl)ethyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

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

V028-1780

Molecular Formula

C27H37N5O4S (C27 H37 N5 O4 S)

Compound Name

N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-({[2-(morpholin-4-yl)ethyl]carbamoyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

IUPAC name

NN-diethyl-5-(2-methoxyphenyl)-7-methyl-3-({[2-(morpholin-4-yl)ethyl]carbamoyl}methyl)-5H-[13]thiazolo[32-a]pyrimidine-6-carboxamide

SMILES

CCN(CC)C(C1=C(C)N=C2SC=C(CC(NCCN3CCOCC3)=O)N2C1c(cccc1)c1OC)=O

InChI

InChI=1S/C27H37N5O4S/c1-5-31(6-2)26(34)24-19(3)29-27-32(25(24)21-9-7-8-10-22(21)35-4)20(18-37-27)17-23(33)28-11-12-30-13-15-36-16-14-30/h7-10,18,25H,5-6,11-17H2,1-4H3,(H,28,33)/t25-/m1/s1

InChI Key

BREPOULILZRYIZ-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19826878

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

527.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.749

Distribution Coefficient, logD

1.661

Water Solubility, LogSw

-2.25

Polar Surface Area

71.152

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

6.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.90

V028-1780 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 V028-1780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-1780?
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What is the minimum amount of V028-1780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-1780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-1780
  • 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 V028-1780 available by request