2999-1732 Screening compound: N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]-4-nitrobenzamide

2999-1732 Screening compound: N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]-4-nitrobenzamide
2999-1732 Screening compound: N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2999-1732
N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]-4-nitrobenzamide

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

2999-1732

Molecular Formula

C19H16N4O5S (C19 H16 N4 O5 S)

Compound Name

N-[6-(morpholine-4-carbonyl)-1,3-benzothiazol-2-yl]-4-nitrobenzamide

IUPAC name

N-[6-(morpholine-4-carbonyl)-13-benzothiazol-2-yl]-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(Nc1nc(ccc(C(N2CCOCC2)=O)c2)c2s1)=O)=O

InChI

InChI=1S/C19H16N4O5S/c24-17(12-1-4-14(5-2-12)23(26)27)21-19-20-15-6-3-13(11-16(15)29-19)18(25)22-7-9-28-10-8-22/h1-6,11H,7-10H2,(H,20,21,24)

InChI Key

CMQMAQYCWPAKLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01893060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

2.597

Water Solubility, LogSw

-3.17

Polar Surface Area

91.029

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

2999-1732 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 2999-1732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2999-1732?
Check Price and Availability of 2999-1732, 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 2999-1732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2999-1732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2999-1732
  • 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 2999-1732 available by request