8018-8872 Screening compound: N-{2-[(4-bromophenyl)(butylamino)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl}benzamide

8018-8872 Screening compound: N-{2-[(4-bromophenyl)(butylamino)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl}benzamide
8018-8872 Screening compound: N-{2-[(4-bromophenyl)(butylamino)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8872
N-{2-[(4-bromophenyl)(butylamino)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl}benzamide

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

8018-8872

Molecular Formula

C28H30BrN3O2S (C28 H30 BrN3 O2 S)

Compound Name

N-{2-[(4-bromophenyl)(butylamino)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl}benzamide

IUPAC name

N-{2-[(4-bromophenyl)(butylamino)methyl]-4-(methoxymethyl)-6-methylthieno[23-b]pyridin-3-yl}benzamide

SMILES

CCCCNC(c(sc1c2c(COC)cc(C)n1)c2NC(c1ccccc1)=O)c(cc1)ccc1Br

InChI

InChI=1S/C28H30BrN3O2S/c1-4-5-15-30-24(19-11-13-22(29)14-12-19)26-25(32-27(33)20-9-7-6-8-10-20)23-21(17-34-3)16-18(2)31-28(23)35-26/h6-14,16,24,30H,4-5,15,17H2,1-3H3,(H,32,33)/t24-/m1/s1

InChI Key

KTQKWBQWIXXNAY-XMMPIXPASA-N

MDL Number (MFCD)

MFCD09062919

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

552.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.794

Distribution Coefficient, logD

4.872

Water Solubility, LogSw

-5.64

Polar Surface Area

50.635

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 8018-8872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8872?
Check Price and Availability of 8018-8872, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8018-8872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8872
  • 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 8018-8872 available by request