1630-0906 Screening compound: propan-2-yl 4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-0906 Screening compound: propan-2-yl 4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-0906 Screening compound: propan-2-yl 4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0906
propan-2-yl 4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

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

1630-0906

Molecular Formula

C20H22BrNO3 (C20 H22 BrNO3)

Compound Name

propan-2-yl 4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

propan-2-yl 4-(4-bromophenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)OC(C(C1c(cc2)ccc2Br)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C20H22BrNO3/c1-11(2)25-20(24)17-12(3)22-15-5-4-6-16(23)19(15)18(17)13-7-9-14(21)10-8-13/h7-11,18,22H,4-6H2,1-3H3/t18-/m0/s1

InChI Key

YXAJQJMVPRELMH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00619544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.498

Distribution Coefficient, logD

0.603

Water Solubility, LogSw

-4.40

Polar Surface Area

44.354

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

1630-0906 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1630-0906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0906?
Check Price and Availability of 1630-0906, 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 1630-0906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0906
  • 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 1630-0906 available by request