E684-0511 Screening compound: 1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

E684-0511 Screening compound: 1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
E684-0511 Screening compound: 1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E684-0511
1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-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

E684-0511

Molecular Formula

C26H30N4O5S2 (C26 H30 N4 O5 S2)

Compound Name

1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

IUPAC name

1-[(1-acetyl-2-methyl-23-dihydro-1H-indol-5-yl)sulfonyl]-N-(6-ethoxy-13-benzothiazol-2-yl)piperidine-4-carboxamide

SMILES

CCOc(cc1)cc2c1nc(NC(C(CC1)CCN1S(c(cc1)cc(CC3C)c1N3C(C)=O)(=O)=O)=O)s2

InChI

InChI=1S/C26H30N4O5S2/c1-4-35-20-5-7-22-24(15-20)36-26(27-22)28-25(32)18-9-11-29(12-10-18)37(33,34)21-6-8-23-19(14-21)13-16(2)30(23)17(3)31/h5-8,14-16,18H,4,9-13H2,1-3H3,(H,27,28,32)/t16-/m1/s1

InChI Key

MSOOBHAAUCJGAT-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14909884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.68

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.944

Distribution Coefficient, logD

3.944

Water Solubility, LogSw

-3.92

Polar Surface Area

87.283

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

E684-0511 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E684-0511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E684-0511?
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What is the minimum amount of E684-0511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E684-0511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E684-0511
  • 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 E684-0511 available by request