D627-0336 Screening compound: N~3~-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-pyrazole-3-carboxamide

D627-0336 Screening compound: N~3~-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-pyrazole-3-carboxamide
D627-0336 Screening compound: N~3~-[4-(diethylamino)phenyl]-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 D627-0336
N~3~-[4-(diethylamino)phenyl]-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

D627-0336

Molecular Formula

C26H32N4O3S (C26 H32 N4 O3 S)

Compound Name

N~3~-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1H-pyrazole-3-carboxamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C26H32N4O3S/c1-5-29(6-2)22-11-9-21(10-12-22)27-26(31)24-16-25(20-8-7-18(3)19(4)15-20)30(28-24)23-13-14-34(32,33)17-23/h7-12,15-16,23H,5-6,13-14,17H2,1-4H3,(H,27,31)/t23-/m1/s1

InChI Key

AREBGQIHPWBEFM-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD15142179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.437

Distribution Coefficient, logD

4.244

Water Solubility, LogSw

-4.23

Polar Surface Area

67.159

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

D627-0336 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D627-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0336?
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What is the minimum amount of D627-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0336
  • 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 D627-0336 available by request