D388-1099 Screening compound: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

D388-1099 Screening compound: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
D388-1099 Screening compound: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-1099
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

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

D388-1099

Molecular Formula

C25H29FN2O2 (C25 H29 FN2 O2)

Compound Name

N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

IUPAC name

N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(NCC(c2ccc(C)cc2)N2CCCCCC2)=O)oc(cc2)c1cc2F

InChI

InChI=1S/C25H29FN2O2/c1-17-7-9-19(10-8-17)22(28-13-5-3-4-6-14-28)16-27-25(29)24-18(2)21-15-20(26)11-12-23(21)30-24/h7-12,15,22H,3-6,13-14,16H2,1-2H3,(H,27,29)/t22-/m0/s1

InChI Key

GSWJYYXOSOTTKA-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD12915190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.513

Distribution Coefficient, logD

4.765

Water Solubility, LogSw

-5.45

Polar Surface Area

36.498

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D388-1099 in Drug Discovery

Included in Screening Libraries

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 D388-1099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-1099?
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What is the minimum amount of D388-1099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-1099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-1099
  • 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 D388-1099 available by request