D751-0196 Screening compound: (2R)-2-({2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]acetyl}amino)-2-phenylethanoic acid

D751-0196 Screening compound: (2R)-2-({2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]acetyl}amino)-2-phenylethanoic acid
D751-0196 Screening compound: (2R)-2-({2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]acetyl}amino)-2-phenylethanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D751-0196
(2R)-2-({2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]acetyl}amino)-2-phenylethanoic 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

D751-0196

Molecular Formula

C29H26N4O4 (C29 H26 N4 O4)

Compound Name

(2R)-2-({2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]acetyl}amino)-2-phenylethanoic acid

IUPAC name

(2R)-2-{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]acetamido}-2-phenylacetic acid

SMILES

CN([C@@H]1N2CCc3c1n(CC(N[C@@H](C(O)=O)c1ccccc1)=O)c1c3cccc1)c(cccc1)c1C2=O

InChI

InChI=1S/C29H26N4O4/c1-31-22-13-7-6-12-21(22)28(35)32-16-15-20-19-11-5-8-14-23(19)33(26(20)27(31)32)17-24(34)30-25(29(36)37)18-9-3-2-4-10-18/h2-14,25,27H,15-17H2,1H3,(H,30,34)(H,36,37)/t25-,27-/m1/s1

InChI Key

FXAAYYJDPLOBIW-XNMGPUDCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.032

Distribution Coefficient, logD

-0.884

Water Solubility, LogSw

-3.44

Polar Surface Area

70.737

Acid Dissociation Constant (pKa)

3.48

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.69

D751-0196 in Drug Discovery

Included in Screening Libraries

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

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with D751-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D751-0196?
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What is the minimum amount of D751-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D751-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D751-0196
  • 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 D751-0196 available by request