P035-0638 Screening compound: N-(6-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-imidazol-1-yl}pyridin-3-yl)-2-methylpropanamide

P035-0638 Screening compound: N-(6-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-imidazol-1-yl}pyridin-3-yl)-2-methylpropanamide
P035-0638 Screening compound: N-(6-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-imidazol-1-yl}pyridin-3-yl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P035-0638
N-(6-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-imidazol-1-yl}pyridin-3-yl)-2-methylpropanamide

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

P035-0638

Molecular Formula

C23H25FN6O2 (C23 H25 FN6 O2)

Compound Name

N-(6-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-imidazol-1-yl}pyridin-3-yl)-2-methylpropanamide

IUPAC name

N-(6-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-imidazol-1-yl}pyridin-3-yl)-2-methylpropanamide

SMILES

CC(C)C(Nc(cc1)cnc1-n1cnc(C(N(CC2)CCN2c(cccc2)c2F)=O)c1)=O

InChI

InChI=1S/C23H25FN6O2/c1-16(2)22(31)27-17-7-8-21(25-13-17)30-14-19(26-15-30)23(32)29-11-9-28(10-12-29)20-6-4-3-5-18(20)24/h3-8,13-16H,9-12H2,1-2H3,(H,27,31)

InChI Key

SQTADKQJXJCNOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.351

Distribution Coefficient, logD

3.351

Water Solubility, LogSw

-3.50

Polar Surface Area

64.048

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

P035-0638 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 P035-0638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P035-0638?
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What is the minimum amount of P035-0638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P035-0638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P035-0638
  • 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 P035-0638 available by request