D388-0649 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-4-bromobenzamide

D388-0649 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-4-bromobenzamide
D388-0649 Screening compound: N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-4-bromobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-0649
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-4-bromobenzamide

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

D388-0649

Molecular Formula

C19H23BrN2OS (C19 H23 BrN2 OS)

Compound Name

N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-4-bromobenzamide

IUPAC name

N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-4-bromobenzamide

SMILES

O=C(c(cc1)ccc1Br)NCC(c1cccs1)N1CCCCCC1

InChI

InChI=1S/C19H23BrN2OS/c20-16-9-7-15(8-10-16)19(23)21-14-17(18-6-5-13-24-18)22-11-3-1-2-4-12-22/h5-10,13,17H,1-4,11-12,14H2,(H,21,23)/t17-/m0/s1

InChI Key

UVDYOMDERXFFJF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD12917498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.376

Distribution Coefficient, logD

4.228

Water Solubility, LogSw

-4.15

Polar Surface Area

28.990

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with D388-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-0649?
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What is the minimum amount of D388-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-0649
  • 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 D388-0649 available by request