L628-0512 Screening compound: 2-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one

L628-0512 Screening compound: 2-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one
L628-0512 Screening compound: 2-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L628-0512
2-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one

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

L628-0512

Molecular Formula

C21H30N6O4S (C21 H30 N6 O4 S)

Compound Name

2-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one

IUPAC name

2-{1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]piperidin-4-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one

SMILES

CC(C(CC1)CCN1S(c1c(C)onc1C)(=O)=O)C(N(CC1)CCN1c1ncccn1)=O

InChI

InChI=1S/C21H30N6O4S/c1-15(20(28)25-11-13-26(14-12-25)21-22-7-4-8-23-21)18-5-9-27(10-6-18)32(29,30)19-16(2)24-31-17(19)3/h4,7-8,15,18H,5-6,9-14H2,1-3H3/t15-/m0/s1

InChI Key

TVZYQYQPEQBUEK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27466250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.391

Distribution Coefficient, logD

1.391

Water Solubility, LogSw

-1.76

Polar Surface Area

92.258

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

L628-0512 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 L628-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L628-0512?
Check Price and Availability of L628-0512, 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 L628-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L628-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L628-0512
  • 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 L628-0512 available by request