D751-0187 Screening compound: 2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N~1~-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide

D751-0187 Screening compound: 2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N~1~-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide
D751-0187 Screening compound: 2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N~1~-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D751-0187
2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N~1~-[3-(dimethylamino)-2,2-dimethylpropyl]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

D751-0187

Molecular Formula

C28H35N5O2 (C28 H35 N5 O2)

Compound Name

2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N~1~-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide

IUPAC name

N-[3-(dimethylamino)-22-dimethylpropyl]-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

CC(C)(CNC(Cn1c(cccc2)c2c(CC2)c1[C@H](N(C)c1c3cccc1)N2C3=O)=O)CN(C)C

InChI

InChI=1S/C28H35N5O2/c1-28(2,18-30(3)4)17-29-24(34)16-33-23-13-9-6-10-19(23)20-14-15-32-26(25(20)33)31(5)22-12-8-7-11-21(22)27(32)35/h6-13,26H,14-18H2,1-5H3,(H,29,34)/t26-/m1/s1

InChI Key

RTXUYCPCBOIPIC-AREMUKBSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.472

Distribution Coefficient, logD

0.963

Water Solubility, LogSw

-3.83

Polar Surface Area

47.136

Acid Dissociation Constant (pKa)

15.90

Base Dissociation Constant (pKb)

9.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

D751-0187 in Drug Discovery

Included in Screening Libraries

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 D751-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D751-0187?
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What is the minimum amount of D751-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D751-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D751-0187
  • 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 D751-0187 available by request