D751-0278 Screening compound: 3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

D751-0278 Screening compound: 3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
D751-0278 Screening compound: 3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D751-0278
3-[(13bR)-14-methyl-5-oxo-7,8,13b,14-tetrahydroquinazolino[2,3-a]beta-carbolin-13(5H)-yl]-N-(5-propyl-1,3,4-thiadiazol-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

D751-0278

Molecular Formula

C27H28N6O2S (C27 H28 N6 O2 S)

Compound Name

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

IUPAC name

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]-N-(5-propyl-134-thiadiazol-2-yl)propanamide

SMILES

CCCc1nnc(NC(CCn2c(cccc3)c3c(CC3)c2[C@H](N(C)c2c4cccc2)N3C4=O)=O)s1

InChI

InChI=1S/C27H28N6O2S/c1-3-8-23-29-30-27(36-23)28-22(34)14-16-32-21-12-7-4-9-17(21)18-13-15-33-25(24(18)32)31(2)20-11-6-5-10-19(20)26(33)35/h4-7,9-12,25H,3,8,13-16H2,1-2H3,(H,28,30,34)/t25-/m1/s1

InChI Key

ASWAJZNHMYMSOO-RUZDIDTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.684

Distribution Coefficient, logD

4.465

Water Solubility, LogSw

-4.40

Polar Surface Area

65.674

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

D751-0278 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Natural-Product-Based Library (3730 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Pool
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D751-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D751-0278?
Check Price and Availability of D751-0278, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D751-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D751-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D751-0278
  • 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 D751-0278 available by request