D627-0150 Screening compound: N~3~-(1,3-benzodioxol-5-ylmethyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide

D627-0150 Screening compound: N~3~-(1,3-benzodioxol-5-ylmethyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide
D627-0150 Screening compound: N~3~-(1,3-benzodioxol-5-ylmethyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0150
N~3~-(1,3-benzodioxol-5-ylmethyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-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

D627-0150

Molecular Formula

C23H23N3O5S (C23 H23 N3 O5 S)

Compound Name

N~3~-(1,3-benzodioxol-5-ylmethyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-(11-dioxo-1lambda6-thiolan-3-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxamide

SMILES

Cc(cc1)ccc1-c1cc(C(NCc(cc2)cc3c2OCO3)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C23H23N3O5S/c1-15-2-5-17(6-3-15)20-11-19(25-26(20)18-8-9-32(28,29)13-18)23(27)24-12-16-4-7-21-22(10-16)31-14-30-21/h2-7,10-11,18H,8-9,12-14H2,1H3,(H,24,27)/t18-/m1/s1

InChI Key

VGVYDKSGBGSWNN-GOSISDBHSA-N

MDL Number (MFCD)

MFCD15142106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.844

Distribution Coefficient, logD

2.844

Water Solubility, LogSw

-3.40

Polar Surface Area

82.860

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

D627-0150 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D627-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0150?
Check Price and Availability of D627-0150, 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 D627-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0150
  • 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 D627-0150 available by request