D463-0236 Screening compound: 5-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

D463-0236 Screening compound: 5-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
D463-0236 Screening compound: 5-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D463-0236
5-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

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

D463-0236

Molecular Formula

C27H31FN4O2 (C27 H31 FN4 O2)

Compound Name

5-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

IUPAC name

5-tert-butyl-N-[2-(34-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpyrazolo[15-a]pyrimidin-7-amine

SMILES

CC(C)(C)c(cc(NCCc(cc1)cc(OC)c1OC)n1nc2C)nc1c2-c(cc1)ccc1F

InChI

InChI=1S/C27H31FN4O2/c1-17-25(19-8-10-20(28)11-9-19)26-30-23(27(2,3)4)16-24(32(26)31-17)29-14-13-18-7-12-21(33-5)22(15-18)34-6/h7-12,15-16,29H,13-14H2,1-6H3

InChI Key

ZPBZWTCLWBUWSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.375

Distribution Coefficient, logD

4.080

Water Solubility, LogSw

-5.59

Polar Surface Area

46.198

Acid Dissociation Constant (pKa)

18.23

Base Dissociation Constant (pKb)

8.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D463-0236 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D463-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D463-0236?
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What is the minimum amount of D463-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D463-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D463-0236
  • 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 D463-0236 available by request