D627-0014 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(2-methoxyethyl)-5-(2-thienyl)-1H-pyrazole-3-carboxamide

D627-0014 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(2-methoxyethyl)-5-(2-thienyl)-1H-pyrazole-3-carboxamide
D627-0014 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(2-methoxyethyl)-5-(2-thienyl)-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0014
1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(2-methoxyethyl)-5-(2-thienyl)-1H-pyrazole-3-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

D627-0014

Molecular Formula

C15H19N3O4S2 (C15 H19 N3 O4 S2)

Compound Name

1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(2-methoxyethyl)-5-(2-thienyl)-1H-pyrazole-3-carboxamide

IUPAC name

1-(11-dioxo-1lambda6-thiolan-3-yl)-N-(2-methoxyethyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide

SMILES

COCCNC(c1nn(C(CC2)CS2(=O)=O)c(-c2cccs2)c1)=O

InChI

InChI=1S/C15H19N3O4S2/c1-22-6-5-16-15(19)12-9-13(14-3-2-7-23-14)18(17-12)11-4-8-24(20,21)10-11/h2-3,7,9,11H,4-6,8,10H2,1H3,(H,16,19)/t11-/m1/s1

InChI Key

CEKMBJCURMMBNK-LLVKDONJSA-N

MDL Number (MFCD)

MFCD14860200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.664

Distribution Coefficient, logD

0.664

Water Solubility, LogSw

-2.31

Polar Surface Area

75.219

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

D627-0014 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D627-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0014?
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What is the minimum amount of D627-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0014
  • 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 D627-0014 available by request