C259-1297 Screening compound: ethyl 4-[({1-[(5-bromo-1-propionyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-3-piperidyl}carbonyl)amino]tetrahydro-1(2H)-pyridinecarboxylate

C259-1297 Screening compound: ethyl 4-[({1-[(5-bromo-1-propionyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-3-piperidyl}carbonyl)amino]tetrahydro-1(2H)-pyridinecarboxylate
C259-1297 Screening compound: ethyl 4-[({1-[(5-bromo-1-propionyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-3-piperidyl}carbonyl)amino]tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C259-1297
ethyl 4-[({1-[(5-bromo-1-propionyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-3-piperidyl}carbonyl)amino]tetrahydro-1(2H)-pyridinecarboxylate

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

C259-1297

Molecular Formula

C25H35BrN4O6S (C25 H35 BrN4 O6 S)

Compound Name

ethyl 4-[({1-[(5-bromo-1-propionyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]-3-piperidyl}carbonyl)amino]tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

ethyl 4-{1-[(5-bromo-1-propanoyl-23-dihydro-1H-indol-6-yl)sulfonyl]piperidine-3-amido}piperidine-1-carboxylate

SMILES

CCC(N(CCc1c2)c1cc(S(N(CCC1)CC1C(NC(CC1)CCN1C(OCC)=O)=O)(=O)=O)c2Br)=O

InChI

InChI=1S/C25H35BrN4O6S/c1-3-23(31)30-13-7-17-14-20(26)22(15-21(17)30)37(34,35)29-10-5-6-18(16-29)24(32)27-19-8-11-28(12-9-19)25(33)36-4-2/h14-15,18-19H,3-13,16H2,1-2H3,(H,27,32)/t18-/m0/s1

InChI Key

QWFWGJXOBCYHDK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14737213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

599.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.543

Distribution Coefficient, logD

2.543

Water Solubility, LogSw

-2.87

Polar Surface Area

94.225

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.00

C259-1297 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C259-1297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C259-1297?
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What is the minimum amount of C259-1297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C259-1297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C259-1297
  • 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 C259-1297 available by request