D627-0184 Screening compound: 3-(5-(4-methylphenyl)-3-{[4-(2-pyrimidinyl)piperazino]carbonyl}-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D627-0184 Screening compound: 3-(5-(4-methylphenyl)-3-{[4-(2-pyrimidinyl)piperazino]carbonyl}-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D627-0184 Screening compound: 3-(5-(4-methylphenyl)-3-{[4-(2-pyrimidinyl)piperazino]carbonyl}-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D627-0184
3-(5-(4-methylphenyl)-3-{[4-(2-pyrimidinyl)piperazino]carbonyl}-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

D627-0184

Molecular Formula

C23H26N6O3S (C23 H26 N6 O3 S)

Compound Name

3-(5-(4-methylphenyl)-3-{[4-(2-pyrimidinyl)piperazino]carbonyl}-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

3-[5-(4-methylphenyl)-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-1-yl]-1lambda6-thiolane-11-dione

SMILES

Cc(cc1)ccc1-c1cc(C(N(CC2)CCN2c2ncccn2)=O)nn1C(CC1)CS1(=O)=O

InChI

InChI=1S/C23H26N6O3S/c1-17-3-5-18(6-4-17)21-15-20(26-29(21)19-7-14-33(31,32)16-19)22(30)27-10-12-28(13-11-27)23-24-8-2-9-25-23/h2-6,8-9,15,19H,7,10-14,16H2,1H3/t19-/m1/s1

InChI Key

NKKFGEYGNIJERQ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD15142239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.247

Distribution Coefficient, logD

2.247

Water Solubility, LogSw

-2.67

Polar Surface Area

79.603

Acid Dissociation Constant (pKa)

19.22

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with D627-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D627-0184?
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What is the minimum amount of D627-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D627-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D627-0184
  • 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 D627-0184 available by request