E684-0708 Screening compound: 1-cyclopropanecarbonyl-5-({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-2,3-dihydro-1H-indole

E684-0708 Screening compound: 1-cyclopropanecarbonyl-5-({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-2,3-dihydro-1H-indole
E684-0708 Screening compound: 1-cyclopropanecarbonyl-5-({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E684-0708
1-cyclopropanecarbonyl-5-({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-2,3-dihydro-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

E684-0708

Molecular Formula

C31H40N4O4S (C31 H40 N4 O4 S)

Compound Name

1-cyclopropanecarbonyl-5-({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-2,3-dihydro-1H-indole

IUPAC name

1-cyclopropanecarbonyl-5-({4-[4-(25-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-23-dihydro-1H-indole

SMILES

CC(C1)N(C(C2CC2)=O)c(cc2)c1cc2S(N(CC1)CCC1C(N(CC1)CCN1c1c(C)ccc(C)c1)=O)(=O)=O

InChI

InChI=1S/C31H40N4O4S/c1-21-4-5-22(2)29(18-21)32-14-16-33(17-15-32)30(36)25-10-12-34(13-11-25)40(38,39)27-8-9-28-26(20-27)19-23(3)35(28)31(37)24-6-7-24/h4-5,8-9,18,20,23-25H,6-7,10-17,19H2,1-3H3/t23-/m1/s1

InChI Key

IGSSZFBZHXKVIK-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14909933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.75

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.684

Distribution Coefficient, logD

4.684

Water Solubility, LogSw

-4.51

Polar Surface Area

66.698

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.80

References: we are preparing a list of scientific research reports with E684-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E684-0708?
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What is the minimum amount of E684-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E684-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E684-0708
  • 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 E684-0708 available by request