D627-0329 Screening compound: 5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-isopropoxyphenyl)-1H-pyrazole-3-carboxamide

D627-0329 Screening compound: 5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-isopropoxyphenyl)-1H-pyrazole-3-carboxamide
D627-0329 Screening compound: 5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-isopropoxyphenyl)-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0329
5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-isopropoxyphenyl)-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

D627-0329

Molecular Formula

C25H29N3O4S (C25 H29 N3 O4 S)

Compound Name

5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-isopropoxyphenyl)-1H-pyrazole-3-carboxamide

IUPAC name

5-(34-dimethylphenyl)-1-(11-dioxo-1lambda6-thiolan-3-yl)-N-[4-(propan-2-yloxy)phenyl]-1H-pyrazole-3-carboxamide

SMILES

CC(C)Oc(cc1)ccc1NC(c1nn(C(CC2)CS2(=O)=O)c(-c2cc(C)c(C)cc2)c1)=O

InChI

InChI=1S/C25H29N3O4S/c1-16(2)32-22-9-7-20(8-10-22)26-25(29)23-14-24(19-6-5-17(3)18(4)13-19)28(27-23)21-11-12-33(30,31)15-21/h5-10,13-14,16,21H,11-12,15H2,1-4H3,(H,26,29)/t21-/m1/s1

InChI Key

GDHJHRYWXFSMMN-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD15142176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

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

4.293

Distribution Coefficient, logD

4.293

Water Solubility, LogSw

-4.20

Polar Surface Area

71.225

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

D627-0329 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 D627-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0329?
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What is the minimum amount of D627-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0329
  • 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 D627-0329 available by request