D627-0077 Screening compound: 3-[3-(1-azepanylcarbonyl)-5-(2-thienyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D627-0077 Screening compound: 3-[3-(1-azepanylcarbonyl)-5-(2-thienyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D627-0077 Screening compound: 3-[3-(1-azepanylcarbonyl)-5-(2-thienyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0077
3-[3-(1-azepanylcarbonyl)-5-(2-thienyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

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

D627-0077

Molecular Formula

C18H23N3O3S2 (C18 H23 N3 O3 S2)

Compound Name

3-[3-(1-azepanylcarbonyl)-5-(2-thienyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

3-[3-(azepane-1-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl]-1lambda6-thiolane-11-dione

SMILES

O=C(c1nn(C(CC2)CS2(=O)=O)c(-c2cccs2)c1)N1CCCCCC1

InChI

InChI=1S/C18H23N3O3S2/c22-18(20-8-3-1-2-4-9-20)15-12-16(17-6-5-10-25-17)21(19-15)14-7-11-26(23,24)13-14/h5-6,10,12,14H,1-4,7-9,11,13H2/t14-/m1/s1

InChI Key

CUGDLEKPEUVFQW-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14860222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.184

Distribution Coefficient, logD

2.184

Water Solubility, LogSw

-2.56

Polar Surface Area

59.329

Acid Dissociation Constant (pKa)

19.22

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

D627-0077 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 D627-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0077?
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What is the minimum amount of D627-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0077
  • 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 D627-0077 available by request