8249-2790 Screening compound: methyl 2-({[(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)carbamoyl]methyl}sulfanyl)acetate

8249-2790 Screening compound: methyl 2-({[(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)carbamoyl]methyl}sulfanyl)acetate
8249-2790 Screening compound: methyl 2-({[(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)carbamoyl]methyl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8249-2790
methyl 2-({[(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)carbamoyl]methyl}sulfanyl)acetate

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

8249-2790

Molecular Formula

C15H19N3O4S (C15 H19 N3 O4 S)

Compound Name

methyl 2-({[(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)carbamoyl]methyl}sulfanyl)acetate

IUPAC name

methyl 2-({[(77-dimethyl-5-oxo-5678-tetrahydroquinazolin-2-yl)carbamoyl]methyl}sulfanyl)acetate

SMILES

CC(C)(Cc1c2cnc(NC(CSCC(OC)=O)=O)n1)CC2=O

InChI

InChI=1S/C15H19N3O4S/c1-15(2)4-10-9(11(19)5-15)6-16-14(17-10)18-12(20)7-23-8-13(21)22-3/h6H,4-5,7-8H2,1-3H3,(H,16,17,18,20)

InChI Key

KXONWQMYIJRNBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04221934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.135

Distribution Coefficient, logD

1.023

Water Solubility, LogSw

-2.22

Polar Surface Area

78.863

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

8249-2790 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8249-2790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8249-2790?
Check Price and Availability of 8249-2790, 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 8249-2790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8249-2790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8249-2790
  • 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 8249-2790 available by request