D751-0314 Screening compound: (2S)-2-({3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]propanoyl}amino)-4-methylpentanoic acid

D751-0314 Screening compound: (2S)-2-({3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]propanoyl}amino)-4-methylpentanoic acid
D751-0314 Screening compound: (2S)-2-({3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]propanoyl}amino)-4-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D751-0314
(2S)-2-({3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]propanoyl}amino)-4-methylpentanoic acid

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

D751-0314

Molecular Formula

C28H32N4O4 (C28 H32 N4 O4)

Compound Name

(2S)-2-({3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]propanoyl}amino)-4-methylpentanoic acid

IUPAC name

(2S)-4-methyl-2-{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]propanamido}pentanoic acid

SMILES

CC(C)C[C@@H](C(O)=O)NC(CCn1c(cccc2)c2c(CC2)c1[C@H](N(C)c1c3cccc1)N2C3=O)=O

InChI

InChI=1S/C28H32N4O4/c1-17(2)16-21(28(35)36)29-24(33)13-15-31-23-11-7-4-8-18(23)19-12-14-32-26(25(19)31)30(3)22-10-6-5-9-20(22)27(32)34/h4-11,17,21,26H,12-16H2,1-3H3,(H,29,33)(H,35,36)/t21-,26+/m0/s1

InChI Key

NKEPISNZTDLAKF-HFZDXXHNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.819

Distribution Coefficient, logD

-0.799

Water Solubility, LogSw

-3.40

Polar Surface Area

71.266

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.29

D751-0314 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D751-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D751-0314?
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What is the minimum amount of D751-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D751-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D751-0314
  • 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 D751-0314 available by request