C127-0573 Screening compound: N~3~-[3-(diethylamino)propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide

C127-0573 Screening compound: N~3~-[3-(diethylamino)propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide
C127-0573 Screening compound: N~3~-[3-(diethylamino)propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C127-0573
N~3~-[3-(diethylamino)propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide

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

C127-0573

Molecular Formula

C21H32N4O2S (C21 H32 N4 O2 S)

Compound Name

N~3~-[3-(diethylamino)propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide

IUPAC name

N-[3-(diethylamino)propyl]-1-(6-methoxy-13-benzothiazol-2-yl)piperidine-3-carboxamide

SMILES

CCN(CC)CCCNC(C(CCC1)CN1c1nc(ccc(OC)c2)c2s1)=O

InChI

InChI=1S/C21H32N4O2S/c1-4-24(5-2)12-7-11-22-20(26)16-8-6-13-25(15-16)21-23-18-10-9-17(27-3)14-19(18)28-21/h9-10,14,16H,4-8,11-13,15H2,1-3H3,(H,22,26)/t16-/m0/s1

InChI Key

HUJBQTCQPSDAKW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14721175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.456

Distribution Coefficient, logD

0.677

Water Solubility, LogSw

-3.74

Polar Surface Area

48.641

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

10.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

C127-0573 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C127-0573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C127-0573?
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What is the minimum amount of C127-0573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C127-0573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C127-0573
  • 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 C127-0573 available by request