P035-1090 Screening compound: N-{6-[4-(thiomorpholine-4-carbonyl)-1H-imidazol-1-yl]pyridin-3-yl}butanamide

P035-1090 Screening compound: N-{6-[4-(thiomorpholine-4-carbonyl)-1H-imidazol-1-yl]pyridin-3-yl}butanamide
P035-1090 Screening compound: N-{6-[4-(thiomorpholine-4-carbonyl)-1H-imidazol-1-yl]pyridin-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P035-1090
N-{6-[4-(thiomorpholine-4-carbonyl)-1H-imidazol-1-yl]pyridin-3-yl}butanamide

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

P035-1090

Molecular Formula

C17H21N5O2S (C17 H21 N5 O2 S)

Compound Name

N-{6-[4-(thiomorpholine-4-carbonyl)-1H-imidazol-1-yl]pyridin-3-yl}butanamide

IUPAC name

N-{6-[4-(thiomorpholine-4-carbonyl)-1H-imidazol-1-yl]pyridin-3-yl}butanamide

SMILES

CCCC(Nc(cc1)cnc1-n1cnc(C(N2CCSCC2)=O)c1)=O

InChI

InChI=1S/C17H21N5O2S/c1-2-3-16(23)20-13-4-5-15(18-10-13)22-11-14(19-12-22)17(24)21-6-8-25-9-7-21/h4-5,10-12H,2-3,6-9H2,1H3,(H,20,23)

InChI Key

MHQHVFPWEKZTQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.977

Distribution Coefficient, logD

1.976

Water Solubility, LogSw

-2.50

Polar Surface Area

60.875

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

P035-1090 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P035-1090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P035-1090?
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What is the minimum amount of P035-1090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P035-1090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P035-1090
  • 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 P035-1090 available by request