C239-0476 Screening compound: N-cyclohexyl-N-[7-methoxy-2-(5-methyl-2-furyl)imidazo[2,1-b][1,3]benzothiazol-3-yl]amine

C239-0476 Screening compound: N-cyclohexyl-N-[7-methoxy-2-(5-methyl-2-furyl)imidazo[2,1-b][1,3]benzothiazol-3-yl]amine
C239-0476 Screening compound: N-cyclohexyl-N-[7-methoxy-2-(5-methyl-2-furyl)imidazo[2,1-b][1,3]benzothiazol-3-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C239-0476
N-cyclohexyl-N-[7-methoxy-2-(5-methyl-2-furyl)imidazo[2,1-b][1,3]benzothiazol-3-yl]amine

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

C239-0476

Molecular Formula

C21H23N3O2S (C21 H23 N3 O2 S)

Compound Name

N-cyclohexyl-N-[7-methoxy-2-(5-methyl-2-furyl)imidazo[2,1-b][1,3]benzothiazol-3-yl]amine

IUPAC name

N-cyclohexyl-10-methoxy-4-(5-methylfuran-2-yl)-7-thia-25-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaen-3-amine

SMILES

Cc1ccc(-c2c(NC3CCCCC3)n(c(ccc(OC)c3)c3s3)c3n2)o1

InChI

InChI=1S/C21H23N3O2S/c1-13-8-11-17(26-13)19-20(22-14-6-4-3-5-7-14)24-16-10-9-15(25-2)12-18(16)27-21(24)23-19/h8-12,14,22H,3-7H2,1-2H3

InChI Key

GABBJWANTMPTEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.832

Distribution Coefficient, logD

5.723

Water Solubility, LogSw

-5.47

Polar Surface Area

34.510

Acid Dissociation Constant (pKa)

23.23

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C239-0476 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 C239-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C239-0476?
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What is the minimum amount of C239-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C239-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C239-0476
  • 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 C239-0476 available by request