P087-2888 Screening compound: 4-(azepane-1-carbonyl)-1-(4-fluorobenzoyl)-2,3-dihydro-1H-indole

P087-2888 Screening compound: 4-(azepane-1-carbonyl)-1-(4-fluorobenzoyl)-2,3-dihydro-1H-indole
P087-2888 Screening compound: 4-(azepane-1-carbonyl)-1-(4-fluorobenzoyl)-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound P087-2888
4-(azepane-1-carbonyl)-1-(4-fluorobenzoyl)-2,3-dihydro-1H-indole

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

P087-2888

Molecular Formula

C22H23FN2O2 (C22 H23 FN2 O2)

Compound Name

4-(azepane-1-carbonyl)-1-(4-fluorobenzoyl)-2,3-dihydro-1H-indole

IUPAC name

4-(azepane-1-carbonyl)-1-(4-fluorobenzoyl)-23-dihydro-1H-indole

SMILES

O=C(c(cc1)ccc1F)N(CC1)c2c1c(C(N1CCCCCC1)=O)ccc2

InChI

InChI=1S/C22H23FN2O2/c23-17-10-8-16(9-11-17)21(26)25-15-12-18-19(6-5-7-20(18)25)22(27)24-13-3-1-2-4-14-24/h5-11H,1-4,12-15H2

InChI Key

SUSUOJKLCPNBME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27563548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.775

Distribution Coefficient, logD

3.775

Water Solubility, LogSw

-4.17

Polar Surface Area

32.897

Acid Dissociation Constant (pKa)

24.33

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

P087-2888 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 P087-2888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P087-2888?
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What is the minimum amount of P087-2888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P087-2888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P087-2888
  • 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 P087-2888 available by request