D751-0093 Screening compound: 2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N~1~-(1,3-thiazol-2-yl)acetamide

D751-0093 Screening compound: 2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N~1~-(1,3-thiazol-2-yl)acetamide
D751-0093 Screening compound: 2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N~1~-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D751-0093
2-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N~1~-(1,3-thiazol-2-yl)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

D751-0093

Molecular Formula

C24H21N5O2S (C24 H21 N5 O2 S)

Compound Name

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

IUPAC name

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]-N-(13-thiazol-2-yl)acetamide

SMILES

CN([C@@H]1N2CCc3c1n(CC(Nc1nccs1)=O)c1c3cccc1)c(cccc1)c1C2=O

InChI

InChI=1S/C24H21N5O2S/c1-27-18-8-4-3-7-17(18)23(31)28-12-10-16-15-6-2-5-9-19(15)29(21(16)22(27)28)14-20(30)26-24-25-11-13-32-24/h2-9,11,13,22H,10,12,14H2,1H3,(H,25,26,30)/t22-/m1/s1

InChI Key

GGPKEWLYJIKTGJ-JOCHJYFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.813

Distribution Coefficient, logD

3.810

Water Solubility, LogSw

-4.02

Polar Surface Area

52.133

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.83

D751-0093 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 D751-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D751-0093?
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What is the minimum amount of D751-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D751-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D751-0093
  • 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 D751-0093 available by request