D751-0279 Screening compound: 3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N~1~-(4-methyl-1,3-thiazol-2-yl)propanamide

D751-0279 Screening compound: 3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N~1~-(4-methyl-1,3-thiazol-2-yl)propanamide
D751-0279 Screening compound: 3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N~1~-(4-methyl-1,3-thiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D751-0279
3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N~1~-(4-methyl-1,3-thiazol-2-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

D751-0279

Molecular Formula

C26H25N5O2S (C26 H25 N5 O2 S)

Compound Name

3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N~1~-(4-methyl-1,3-thiazol-2-yl)propanamide

IUPAC name

N-(4-methyl-13-thiazol-2-yl)-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]propanamide

SMILES

Cc1csc(NC(CCn2c(cccc3)c3c(CC3)c2[C@H](N(C)c2c4cccc2)N3C4=O)=O)n1

InChI

InChI=1S/C26H25N5O2S/c1-16-15-34-26(27-16)28-22(32)12-14-30-21-10-6-3-7-17(21)18-11-13-31-24(23(18)30)29(2)20-9-5-4-8-19(20)25(31)33/h3-10,15,24H,11-14H2,1-2H3,(H,27,28,32)/t24-/m1/s1

InChI Key

FOXMOWUZPOLDCU-XMMPIXPASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.112

Distribution Coefficient, logD

4.078

Water Solubility, LogSw

-4.16

Polar Surface Area

51.486

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.92

D751-0279 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 D751-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D751-0279?
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What is the minimum amount of D751-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D751-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D751-0279
  • 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 D751-0279 available by request