G713-1590 Screening compound: N-(3-chlorophenyl)-5-(2-{[3-(2-methylpiperidin-1-yl)propyl]carbamoyl}ethyl)-1,3,4-thiadiazole-2-carboxamide

G713-1590 Screening compound: N-(3-chlorophenyl)-5-(2-{[3-(2-methylpiperidin-1-yl)propyl]carbamoyl}ethyl)-1,3,4-thiadiazole-2-carboxamide
G713-1590 Screening compound: N-(3-chlorophenyl)-5-(2-{[3-(2-methylpiperidin-1-yl)propyl]carbamoyl}ethyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G713-1590
N-(3-chlorophenyl)-5-(2-{[3-(2-methylpiperidin-1-yl)propyl]carbamoyl}ethyl)-1,3,4-thiadiazole-2-carboxamide

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

G713-1590

Molecular Formula

C21H28ClN5O2S (C21 H28 ClN5 O2 S)

Compound Name

N-(3-chlorophenyl)-5-(2-{[3-(2-methylpiperidin-1-yl)propyl]carbamoyl}ethyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(3-chlorophenyl)-5-(2-{[3-(2-methylpiperidin-1-yl)propyl]carbamoyl}ethyl)-134-thiadiazole-2-carboxamide

SMILES

CC1N(CCCNC(CCc2nnc(C(Nc3cccc(Cl)c3)=O)s2)=O)CCCC1

InChI

InChI=1S/C21H28ClN5O2S/c1-15-6-2-3-12-27(15)13-5-11-23-18(28)9-10-19-25-26-21(30-19)20(29)24-17-8-4-7-16(22)14-17/h4,7-8,14-15H,2-3,5-6,9-13H2,1H3,(H,23,28)(H,24,29)/t15-/m0/s1

InChI Key

IGGCFTJVJSXEES-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15029869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.668

Distribution Coefficient, logD

-0.239

Water Solubility, LogSw

-3.63

Polar Surface Area

74.804

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

10.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

G713-1590 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G713-1590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G713-1590?
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What is the minimum amount of G713-1590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G713-1590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G713-1590
  • 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 G713-1590 available by request