D187-0048 Screening compound: methyl 4-{[4-(dimethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}benzoate

D187-0048 Screening compound: methyl 4-{[4-(dimethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}benzoate
D187-0048 Screening compound: methyl 4-{[4-(dimethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D187-0048
methyl 4-{[4-(dimethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}benzoate

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

D187-0048

Molecular Formula

C18H23N5O3 (C18 H23 N5 O3)

Compound Name

methyl 4-{[4-(dimethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}benzoate

IUPAC name

methyl 4-{[4-(dimethylamino)-6-(piperidin-1-yl)-135-triazin-2-yl]oxy}benzoate

SMILES

CN(C)c1nc(Oc(cc2)ccc2C(OC)=O)nc(N2CCCCC2)n1

InChI

InChI=1S/C18H23N5O3/c1-22(2)16-19-17(23-11-5-4-6-12-23)21-18(20-16)26-14-9-7-13(8-10-14)15(24)25-3/h7-10H,4-6,11-12H2,1-3H3

InChI Key

BUMIBHSAAWBUEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04191824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.686

Distribution Coefficient, logD

4.686

Water Solubility, LogSw

-4.38

Polar Surface Area

61.938

Acid Dissociation Constant (pKa)

19.02

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D187-0048 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 D187-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D187-0048?
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What is the minimum amount of D187-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D187-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D187-0048
  • 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 D187-0048 available by request