D627-0071 Screening compound: N~3~-(tert-butyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(2-thienyl)-1H-pyrazole-3-carboxamide

D627-0071 Screening compound: N~3~-(tert-butyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(2-thienyl)-1H-pyrazole-3-carboxamide
D627-0071 Screening compound: N~3~-(tert-butyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(2-thienyl)-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0071
N~3~-(tert-butyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(2-thienyl)-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

D627-0071

Molecular Formula

C16H21N3O3S2 (C16 H21 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)NC(c1nn(C(CC2)CS2(=O)=O)c(-c2cccs2)c1)=O

InChI

InChI=1S/C16H21N3O3S2/c1-16(2,3)17-15(20)12-9-13(14-5-4-7-23-14)19(18-12)11-6-8-24(21,22)10-11/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,17,20)/t11-/m1/s1

InChI Key

UYXXEXRGMJNDQB-LLVKDONJSA-N

MDL Number (MFCD)

MFCD14860220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.867

Distribution Coefficient, logD

1.867

Water Solubility, LogSw

-2.61

Polar Surface Area

65.859

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D627-0071 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D627-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0071?
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What is the minimum amount of D627-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0071
  • 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 D627-0071 available by request