1112-0046 Screening compound: 1-(azepan-1-yl)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol

1112-0046 Screening compound: 1-(azepan-1-yl)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol
1112-0046 Screening compound: 1-(azepan-1-yl)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1112-0046
1-(azepan-1-yl)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol

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

1112-0046

Molecular Formula

C21H24Cl2N2O (C21 H24 Cl2 N2 O)

Compound Name

1-(azepan-1-yl)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol

IUPAC name

1-(azepan-1-yl)-3-(36-dichloro-9H-carbazol-9-yl)propan-2-ol

SMILES

OC(Cn1c(ccc(Cl)c2)c2c2c1ccc(Cl)c2)CN1CCCCCC1

InChI

InChI=1S/C21H24Cl2N2O/c22-15-5-7-20-18(11-15)19-12-16(23)6-8-21(19)25(20)14-17(26)13-24-9-3-1-2-4-10-24/h5-8,11-12,17,26H,1-4,9-10,13-14H2/t17-/m1/s1

InChI Key

DXKYCRWEFUUADQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00218402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.003

Distribution Coefficient, logD

4.643

Water Solubility, LogSw

-6.16

Polar Surface Area

21.897

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

1112-0046 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 1112-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1112-0046?
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What is the minimum amount of 1112-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1112-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1112-0046
  • 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 1112-0046 available by request