C700-1967 Screening compound: 1-acetyl-5-(azepane-1-sulfonyl)-N-(2-phenylethyl)-2,3-dihydro-1H-indole-2-carboxamide

C700-1967 Screening compound: 1-acetyl-5-(azepane-1-sulfonyl)-N-(2-phenylethyl)-2,3-dihydro-1H-indole-2-carboxamide
C700-1967 Screening compound: 1-acetyl-5-(azepane-1-sulfonyl)-N-(2-phenylethyl)-2,3-dihydro-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-1967
1-acetyl-5-(azepane-1-sulfonyl)-N-(2-phenylethyl)-2,3-dihydro-1H-indole-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

C700-1967

Molecular Formula

C25H31N3O4S (C25 H31 N3 O4 S)

Compound Name

1-acetyl-5-(azepane-1-sulfonyl)-N-(2-phenylethyl)-2,3-dihydro-1H-indole-2-carboxamide

IUPAC name

1-acetyl-5-(azepane-1-sulfonyl)-N-(2-phenylethyl)-23-dihydro-1H-indole-2-carboxamide

SMILES

CC(N(C(C1)C(NCCc2ccccc2)=O)c(cc2)c1cc2S(N1CCCCCC1)(=O)=O)=O

InChI

InChI=1S/C25H31N3O4S/c1-19(29)28-23-12-11-22(33(31,32)27-15-7-2-3-8-16-27)17-21(23)18-24(28)25(30)26-14-13-20-9-5-4-6-10-20/h4-6,9-12,17,24H,2-3,7-8,13-16,18H2,1H3,(H,26,30)/t24-/m1/s1

InChI Key

OOKWOUYJGXGSFX-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14785749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.940

Distribution Coefficient, logD

2.940

Water Solubility, LogSw

-3.55

Polar Surface Area

72.301

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with C700-1967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-1967?
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What is the minimum amount of C700-1967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-1967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-1967
  • 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 C700-1967 available by request