D627-0017 Screening compound: 3-[3-[(4-acetylpiperazino)carbonyl]-5-(2-thienyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D627-0017 Screening compound: 3-[3-[(4-acetylpiperazino)carbonyl]-5-(2-thienyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D627-0017 Screening compound: 3-[3-[(4-acetylpiperazino)carbonyl]-5-(2-thienyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0017
3-[3-[(4-acetylpiperazino)carbonyl]-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

D627-0017

Molecular Formula

C18H22N4O4S2 (C18 H22 N4 O4 S2)

Compound Name

3-[3-[(4-acetylpiperazino)carbonyl]-5-(2-thienyl)-1H-pyrazol-1-yl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

3-[3-(4-acetylpiperazine-1-carbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl]-1lambda6-thiolane-11-dione

SMILES

CC(N(CC1)CCN1C(c1nn(C(CC2)CS2(=O)=O)c(-c2cccs2)c1)=O)=O

InChI

InChI=1S/C18H22N4O4S2/c1-13(23)20-5-7-21(8-6-20)18(24)15-11-16(17-3-2-9-27-17)22(19-15)14-4-10-28(25,26)12-14/h2-3,9,11,14H,4-8,10,12H2,1H3/t14-/m1/s1

InChI Key

APFAUQMQHKKVMO-CQSZACIVSA-N

MDL Number (MFCD)

MFCD15142077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.330

Distribution Coefficient, logD

0.330

Water Solubility, LogSw

-2.00

Polar Surface Area

76.194

Acid Dissociation Constant (pKa)

19.22

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D627-0017 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 D627-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0017?
Check Price and Availability of D627-0017, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D627-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0017
  • 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 D627-0017 available by request