L495-0692 Screening compound: N-(5-{[(2-bromophenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)cyclohexanecarboxamide

L495-0692 Screening compound: N-(5-{[(2-bromophenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
L495-0692 Screening compound: N-(5-{[(2-bromophenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L495-0692
N-(5-{[(2-bromophenyl)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

L495-0692

Molecular Formula

C21H21BrN4O2S (C21 H21 BrN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCCCC1)Nc1nc(cc(cc2)NC(Nc(cccc3)c3Br)=O)c2s1

InChI

InChI=1S/C21H21BrN4O2S/c22-15-8-4-5-9-16(15)24-20(28)23-14-10-11-18-17(12-14)25-21(29-18)26-19(27)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2,(H2,23,24,28)(H,25,26,27)

InChI Key

SOFLTCCOLNNTQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15128737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.993

Distribution Coefficient, logD

5.993

Water Solubility, LogSw

-5.78

Polar Surface Area

64.888

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L495-0692 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L495-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L495-0692?
Check Price and Availability of L495-0692, 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 L495-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L495-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L495-0692
  • 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 L495-0692 available by request