D751-0255 Screening compound: 3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N~1~-(tetrahydro-2H-pyran-4-ylmethyl)propanamide

D751-0255 Screening compound: 3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N~1~-(tetrahydro-2H-pyran-4-ylmethyl)propanamide
D751-0255 Screening compound: 3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N~1~-(tetrahydro-2H-pyran-4-ylmethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D751-0255
3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N~1~-(tetrahydro-2H-pyran-4-ylmethyl)propanamide

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

D751-0255

Molecular Formula

C28H32N4O3 (C28 H32 N4 O3)

Compound Name

3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N~1~-(tetrahydro-2H-pyran-4-ylmethyl)propanamide

IUPAC name

3-[(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]-N-[(oxan-4-yl)methyl]propanamide

SMILES

CN([C@@H]1N2CCc3c1n(CCC(NCC1CCOCC1)=O)c1c3cccc1)c(cccc1)c1C2=O

InChI

InChI=1S/C28H32N4O3/c1-30-23-8-4-3-7-22(23)28(34)32-14-10-21-20-6-2-5-9-24(20)31(26(21)27(30)32)15-11-25(33)29-18-19-12-16-35-17-13-19/h2-9,19,27H,10-18H2,1H3,(H,29,33)/t27-/m1/s1

InChI Key

DTDUGKLJTVEBFM-HHHXNRCGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.296

Distribution Coefficient, logD

3.296

Water Solubility, LogSw

-3.78

Polar Surface Area

51.056

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

D751-0255 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Pool

References: we are preparing a list of scientific research reports with D751-0255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D751-0255?
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What is the minimum amount of D751-0255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D751-0255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D751-0255
  • 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 D751-0255 available by request