D631-0041 Screening compound: 2-[1-(5,6,7-trimethoxy-1-methyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-1,3-benzodiazole

D631-0041 Screening compound: 2-[1-(5,6,7-trimethoxy-1-methyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-1,3-benzodiazole
D631-0041 Screening compound: 2-[1-(5,6,7-trimethoxy-1-methyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D631-0041
2-[1-(5,6,7-trimethoxy-1-methyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-1,3-benzodiazole

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

D631-0041

Molecular Formula

C25H28N4O4 (C25 H28 N4 O4)

Compound Name

2-[1-(5,6,7-trimethoxy-1-methyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-1,3-benzodiazole

IUPAC name

2-[1-(567-trimethoxy-1-methyl-1H-indole-2-carbonyl)piperidin-4-yl]-1H-13-benzodiazole

SMILES

Cn(c(C(N(CC1)CCC1c1nc(cccc2)c2[nH]1)=O)c1)c(c(OC)c2OC)c1cc2OC

InChI

InChI=1S/C25H28N4O4/c1-28-19(13-16-14-20(31-2)22(32-3)23(33-4)21(16)28)25(30)29-11-9-15(10-12-29)24-26-17-7-5-6-8-18(17)27-24/h5-8,13-15H,9-12H2,1-4H3,(H,26,27)

InChI Key

JYHVYOHMNZRSCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13968893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.312

Distribution Coefficient, logD

3.305

Water Solubility, LogSw

-3.54

Polar Surface Area

60.282

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with D631-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D631-0041?
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What is the minimum amount of D631-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D631-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D631-0041
  • 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 D631-0041 available by request