D751-0111 Screening compound: 2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N-(4-methoxyphenyl)acetamide

D751-0111 Screening compound: 2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N-(4-methoxyphenyl)acetamide
D751-0111 Screening compound: 2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D751-0111
2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N-(4-methoxyphenyl)acetamide

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

D751-0111

Molecular Formula

C28H26N4O3 (C28 H26 N4 O3)

Compound Name

2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N-(4-methoxyphenyl)acetamide

IUPAC name

N-(4-methoxyphenyl)-2-[(1R)-21-methyl-14-oxo-31321-triazapentacyclo[11.8.0.0^{210}.0^{49}.0^{1520}]henicosa-2(10)4(9)5715(20)1618-heptaen-3-yl]acetamide

SMILES

CN([C@@H]1N2CCc3c1n(CC(Nc(cc1)ccc1OC)=O)c1c3cccc1)c(cccc1)c1C2=O

InChI

InChI=1S/C28H26N4O3/c1-30-23-9-5-4-8-22(23)28(34)31-16-15-21-20-7-3-6-10-24(20)32(26(21)27(30)31)17-25(33)29-18-11-13-19(35-2)14-12-18/h3-14,27H,15-17H2,1-2H3,(H,29,33)/t27-/m1/s1

InChI Key

KMZLWRQZOUMCGR-HHHXNRCGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.629

Distribution Coefficient, logD

4.629

Water Solubility, LogSw

-4.26

Polar Surface Area

49.199

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.43

D751-0111 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D751-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D751-0111?
Check Price and Availability of D751-0111, 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 D751-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D751-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D751-0111
  • 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 D751-0111 available by request