E677-1137 Screening compound: N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide

E677-1137 Screening compound: N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide
E677-1137 Screening compound: N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E677-1137
N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide

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

E677-1137

Molecular Formula

C22H27N3O2S2 (C22 H27 N3 O2 S2)

Compound Name

N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide

IUPAC name

N-[3-(dimethylamino)propyl]-N-(4-methoxy-13-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide

SMILES

CN(C)CCCN(C(CCSc1ccccc1)=O)c1nc(c(OC)ccc2)c2s1

InChI

InChI=1S/C22H27N3O2S2/c1-24(2)14-8-15-25(20(26)13-16-28-17-9-5-4-6-10-17)22-23-21-18(27-3)11-7-12-19(21)29-22/h4-7,9-12H,8,13-16H2,1-3H3

InChI Key

UBAKIRWQBRDAJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985746

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

429.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.555

Distribution Coefficient, logD

2.349

Water Solubility, LogSw

-4.44

Polar Surface Area

37.114

Acid Dissociation Constant (pKa)

23.29

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E677-1137 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E677-1137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E677-1137?
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What is the minimum amount of E677-1137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E677-1137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E677-1137
  • 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 E677-1137 available by request