D627-0264 Screening compound: N~3~-(4-chlorobenzyl)-5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-pyrazole-3-carboxamide

D627-0264 Screening compound: N~3~-(4-chlorobenzyl)-5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-pyrazole-3-carboxamide
D627-0264 Screening compound: N~3~-(4-chlorobenzyl)-5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0264
N~3~-(4-chlorobenzyl)-5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-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

D627-0264

Molecular Formula

C23H24ClN3O3S (C23 H24 ClN3 O3 S)

Compound Name

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

IUPAC name

N-[(4-chlorophenyl)methyl]-5-(34-dimethylphenyl)-1-(11-dioxo-1lambda6-thiolan-3-yl)-1H-pyrazole-3-carboxamide

SMILES

Cc(cc1)c(C)cc1-c1cc(C(NCc(cc2)ccc2Cl)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C23H24ClN3O3S/c1-15-3-6-18(11-16(15)2)22-12-21(26-27(22)20-9-10-31(29,30)14-20)23(28)25-13-17-4-7-19(24)8-5-17/h3-8,11-12,20H,9-10,13-14H2,1-2H3,(H,25,28)/t20-/m0/s1

InChI Key

VUHDGGFIAMCREP-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15142148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.964

Distribution Coefficient, logD

3.964

Water Solubility, LogSw

-4.42

Polar Surface Area

65.745

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

D627-0264 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 D627-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0264?
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What is the minimum amount of D627-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0264
  • 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 D627-0264 available by request