C700-2739 Screening compound: 5-{[4-(4-ethylbenzenesulfonyl)-1,4-diazepan-1-yl]sulfonyl}-1-(prop-2-en-1-yl)-1H-indole

C700-2739 Screening compound: 5-{[4-(4-ethylbenzenesulfonyl)-1,4-diazepan-1-yl]sulfonyl}-1-(prop-2-en-1-yl)-1H-indole
C700-2739 Screening compound: 5-{[4-(4-ethylbenzenesulfonyl)-1,4-diazepan-1-yl]sulfonyl}-1-(prop-2-en-1-yl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-2739
5-{[4-(4-ethylbenzenesulfonyl)-1,4-diazepan-1-yl]sulfonyl}-1-(prop-2-en-1-yl)-1H-indole

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

C700-2739

Molecular Formula

C24H29N3O4S2 (C24 H29 N3 O4 S2)

Compound Name

5-{[4-(4-ethylbenzenesulfonyl)-1,4-diazepan-1-yl]sulfonyl}-1-(prop-2-en-1-yl)-1H-indole

IUPAC name

5-{[4-(4-ethylbenzenesulfonyl)-14-diazepan-1-yl]sulfonyl}-1-(prop-2-en-1-yl)-1H-indole

SMILES

CCc(cc1)ccc1S(N(CCC1)CCN1S(c(cc1)cc2c1n(CC=C)cc2)(=O)=O)(=O)=O

InChI

InChI=1S/C24H29N3O4S2/c1-3-13-25-16-12-21-19-23(10-11-24(21)25)33(30,31)27-15-5-14-26(17-18-27)32(28,29)22-8-6-20(4-2)7-9-22/h3,6-12,16,19H,1,4-5,13-15,17-18H2,2H3

InChI Key

IZWRBYDMDPXGPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14786134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.258

Distribution Coefficient, logD

4.258

Water Solubility, LogSw

-4.18

Polar Surface Area

65.888

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C700-2739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-2739?
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What is the minimum amount of C700-2739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-2739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-2739
  • 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 C700-2739 available by request