D751-0234 Screening compound: N-[4-(aminosulfonyl)benzyl]-3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]propanamide

D751-0234 Screening compound: N-[4-(aminosulfonyl)benzyl]-3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]propanamide
D751-0234 Screening compound: N-[4-(aminosulfonyl)benzyl]-3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D751-0234
N-[4-(aminosulfonyl)benzyl]-3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]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

D751-0234

Molecular Formula

C29H29N5O4S (C29 H29 N5 O4 S)

Compound Name

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

SMILES

CN([C@@H]1N2CCc3c1n(CCC(NCc(cc1)ccc1S(N)(=O)=O)=O)c1c3cccc1)c(cccc1)c1C2=O

InChI

InChI=1S/C29H29N5O4S/c1-32-24-8-4-3-7-23(24)29(36)34-16-14-22-21-6-2-5-9-25(21)33(27(22)28(32)34)17-15-26(35)31-18-19-10-12-20(13-11-19)39(30,37)38/h2-13,28H,14-18H2,1H3,(H,31,35)(H2,30,37,38)/t28-/m1/s1

InChI Key

YRYMGQVROSHTGD-MUUNZHRXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.613

Distribution Coefficient, logD

2.613

Water Solubility, LogSw

-3.38

Polar Surface Area

93.559

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.14

D751-0234 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CORONAVIRUS Library (20774 compounds)

Natural-Product-Based Library (3730 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D751-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D751-0234?
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What is the minimum amount of D751-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D751-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D751-0234
  • 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 D751-0234 available by request