H025-0061 Screening compound: 4-{2,9-dimethyl-1H,2H,3H,4H,5H,5aH,6H,10bH-azepino[4,3-b]indol-6-yl}butanoic acid

H025-0061 Screening compound: 4-{2,9-dimethyl-1H,2H,3H,4H,5H,5aH,6H,10bH-azepino[4,3-b]indol-6-yl}butanoic acid
H025-0061 Screening compound: 4-{2,9-dimethyl-1H,2H,3H,4H,5H,5aH,6H,10bH-azepino[4,3-b]indol-6-yl}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0061
4-{2,9-dimethyl-1H,2H,3H,4H,5H,5aH,6H,10bH-azepino[4,3-b]indol-6-yl}butanoic acid

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

H025-0061

Molecular Formula

C18H26N2O2 (C18 H26 N2 O2)

Compound Name

4-{2,9-dimethyl-1H,2H,3H,4H,5H,5aH,6H,10bH-azepino[4,3-b]indol-6-yl}butanoic acid

IUPAC name

4-[(5aS10bS)-29-dimethyl-1H2H3H4H5H5aH6H10bH-azepino[43-b]indol-6-yl]butanoic acid

SMILES

Cc(cc1)cc2c1N(CCCC(O)=O)[C@@H]1[C@@H]2CN(C)CCC1

InChI

InChI=1S/C18H26N2O2/c1-13-7-8-17-14(11-13)15-12-19(2)9-3-5-16(15)20(17)10-4-6-18(21)22/h7-8,11,15-16H,3-6,9-10,12H2,1-2H3,(H,21,22)/t15-,16-/m0/s1

InChI Key

VVGPJXCYAOTIGS-HOTGVXAUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.286

Distribution Coefficient, logD

1.286

Water Solubility, LogSw

-2.21

Polar Surface Area

34.572

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

9.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.10

H025-0061 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

BRD4 Targeted Library (4534 compounds)

DGK Inhibitors Library (10558 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with H025-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0061?
Check Price and Availability of H025-0061, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of H025-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0061
  • 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 H025-0061 available by request