L495-0741 Screening compound: N-(5-{[(3-methylbutyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)cyclohexanecarboxamide

L495-0741 Screening compound: N-(5-{[(3-methylbutyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
L495-0741 Screening compound: N-(5-{[(3-methylbutyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L495-0741
N-(5-{[(3-methylbutyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)cyclohexanecarboxamide

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

L495-0741

Molecular Formula

C20H28N4O2S (C20 H28 N4 O2 S)

Compound Name

N-(5-{[(3-methylbutyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)cyclohexanecarboxamide

IUPAC name

N-(5-{[(3-methylbutyl)carbamoyl]amino}-13-benzothiazol-2-yl)cyclohexanecarboxamide

SMILES

CC(C)CCNC(Nc(cc1)cc2c1sc(NC(C1CCCCC1)=O)n2)=O

InChI

InChI=1S/C20H28N4O2S/c1-13(2)10-11-21-19(26)22-15-8-9-17-16(12-15)23-20(27-17)24-18(25)14-6-4-3-5-7-14/h8-9,12-14H,3-7,10-11H2,1-2H3,(H2,21,22,26)(H,23,24,25)

InChI Key

ICQWCYFLSFTTHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15128762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.214

Distribution Coefficient, logD

5.214

Water Solubility, LogSw

-4.82

Polar Surface Area

67.021

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

L495-0741 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with L495-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L495-0741?
Check Price and Availability of L495-0741, 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 L495-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L495-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L495-0741
  • 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 L495-0741 available by request