8012-6126 Screening compound: N~1~-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

8012-6126 Screening compound: N~1~-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
8012-6126 Screening compound: N~1~-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6126
N~1~-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

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

8012-6126

Molecular Formula

C15H16ClN3O2 (C15 H16 ClN3 O2)

Compound Name

N~1~-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

IUPAC name

2-[(6-chloro-2349-tetrahydro-1H-carbazol-1-yl)formamido]acetamide

SMILES

NC(CNC(C(CCC1)c2c1c(cc(cc1)Cl)c1[nH]2)=O)=O

InChI

InChI=1S/C15H16ClN3O2/c16-8-4-5-12-11(6-8)9-2-1-3-10(14(9)19-12)15(21)18-7-13(17)20/h4-6,10,19H,1-3,7H2,(H2,17,20)(H,18,21)/t10-/m1/s1

InChI Key

ZAAGFGBXXRJPBY-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD03034275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.084

Distribution Coefficient, logD

2.084

Water Solubility, LogSw

-2.98

Polar Surface Area

68.442

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

8012-6126 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8012-6126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6126?
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What is the minimum amount of 8012-6126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6126
  • 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 8012-6126 available by request