8018-6640 Screening compound: N-(2-methyl-1,3-benzothiazol-6-yl)-2-[4-(2-methylpropyl)phenyl]propanamide

8018-6640 Screening compound: N-(2-methyl-1,3-benzothiazol-6-yl)-2-[4-(2-methylpropyl)phenyl]propanamide
8018-6640 Screening compound: N-(2-methyl-1,3-benzothiazol-6-yl)-2-[4-(2-methylpropyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6640
N-(2-methyl-1,3-benzothiazol-6-yl)-2-[4-(2-methylpropyl)phenyl]propanamide

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

8018-6640

Molecular Formula

C21H24N2OS (C21 H24 N2 OS)

Compound Name

N-(2-methyl-1,3-benzothiazol-6-yl)-2-[4-(2-methylpropyl)phenyl]propanamide

IUPAC name

N-(2-methyl-13-benzothiazol-6-yl)-2-[4-(2-methylpropyl)phenyl]propanamide

SMILES

CC(C)Cc1ccc(C(C)C(Nc(cc2)cc3c2nc(C)s3)=O)cc1

InChI

InChI=1S/C21H24N2OS/c1-13(2)11-16-5-7-17(8-6-16)14(3)21(24)23-18-9-10-19-20(12-18)25-15(4)22-19/h5-10,12-14H,11H2,1-4H3,(H,23,24)/t14-/m1/s1

InChI Key

YSHSHKAMYBCPDS-CQSZACIVSA-N

MDL Number (MFCD)

MFCD08142278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.989

Distribution Coefficient, logD

5.989

Water Solubility, LogSw

-5.44

Polar Surface Area

32.856

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8018-6640 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 8018-6640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6640?
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What is the minimum amount of 8018-6640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6640
  • 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 8018-6640 available by request