C540-0379 Screening compound: 3-methyl-6-(3-nitrophenyl)-N-[(oxolan-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

C540-0379 Screening compound: 3-methyl-6-(3-nitrophenyl)-N-[(oxolan-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
C540-0379 Screening compound: 3-methyl-6-(3-nitrophenyl)-N-[(oxolan-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C540-0379
3-methyl-6-(3-nitrophenyl)-N-[(oxolan-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-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

C540-0379

Molecular Formula

C18H18N4O4S (C18 H18 N4 O4 S)

Compound Name

3-methyl-6-(3-nitrophenyl)-N-[(oxolan-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

IUPAC name

3-methyl-6-(3-nitrophenyl)-N-[(oxolan-2-yl)methyl]imidazo[21-b][13]thiazole-2-carboxamide

SMILES

Cc1c(C(NCC2OCCC2)=O)sc2nc(-c3cc([N+]([O-])=O)ccc3)cn12

InChI

InChI=1S/C18H18N4O4S/c1-11-16(17(23)19-9-14-6-3-7-26-14)27-18-20-15(10-21(11)18)12-4-2-5-13(8-12)22(24)25/h2,4-5,8,10,14H,3,6-7,9H2,1H3,(H,19,23)/t14-/m1/s1

InChI Key

VBHNDRFBEAAJAN-CQSZACIVSA-N

MDL Number (MFCD)

MFCD04469137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.604

Distribution Coefficient, logD

2.604

Water Solubility, LogSw

-2.84

Polar Surface Area

75.891

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C540-0379 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C540-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C540-0379?
Check Price and Availability of C540-0379, 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 C540-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C540-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C540-0379
  • 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 C540-0379 available by request