D627-0117 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(2-thienyl)-N~3~-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3-carboxamide

D627-0117 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(2-thienyl)-N~3~-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3-carboxamide
D627-0117 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(2-thienyl)-N~3~-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0117
1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(2-thienyl)-N~3~-(3,4,5-trimethoxyphenyl)-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

D627-0117

Molecular Formula

C21H23N3O6S2 (C21 H23 N3 O6 S2)

Compound Name

1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(2-thienyl)-N~3~-(3,4,5-trimethoxyphenyl)-1H-pyrazole-3-carboxamide

IUPAC name

1-(11-dioxo-1lambda6-thiolan-3-yl)-5-(thiophen-2-yl)-N-(345-trimethoxyphenyl)-1H-pyrazole-3-carboxamide

SMILES

COc1cc(NC(c2nn(C(CC3)CS3(=O)=O)c(-c3cccs3)c2)=O)cc(OC)c1OC

InChI

InChI=1S/C21H23N3O6S2/c1-28-17-9-13(10-18(29-2)20(17)30-3)22-21(25)15-11-16(19-5-4-7-31-19)24(23-15)14-6-8-32(26,27)12-14/h4-5,7,9-11,14H,6,8,12H2,1-3H3,(H,22,25)/t14-/m1/s1

InChI Key

YLAFKUVBGSVLKG-CQSZACIVSA-N

MDL Number (MFCD)

MFCD15142229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.809

Distribution Coefficient, logD

1.808

Water Solubility, LogSw

-2.63

Polar Surface Area

88.419

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D627-0117 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D627-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0117?
Check Price and Availability of D627-0117, 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 D627-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0117
  • 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 D627-0117 available by request