3657-2512 Screening compound: 1-(4-bromo-2-methylphenyl)-5-{(Z)-1-[1-(2-morpholino-2-oxoethyl)-1H-indol-3-yl]methylidene}-2,4,6(1H,3H)-pyrimidinetrione

3657-2512 Screening compound: 1-(4-bromo-2-methylphenyl)-5-{(Z)-1-[1-(2-morpholino-2-oxoethyl)-1H-indol-3-yl]methylidene}-2,4,6(1H,3H)-pyrimidinetrione
3657-2512 Screening compound: 1-(4-bromo-2-methylphenyl)-5-{(Z)-1-[1-(2-morpholino-2-oxoethyl)-1H-indol-3-yl]methylidene}-2,4,6(1H,3H)-pyrimidinetrione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3657-2512
1-(4-bromo-2-methylphenyl)-5-{(Z)-1-[1-(2-morpholino-2-oxoethyl)-1H-indol-3-yl]methylidene}-2,4,6(1H,3H)-pyrimidinetrione

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

3657-2512

Molecular Formula

C26H23BrN4O5 (C26 H23 BrN4 O5)

Compound Name

1-(4-bromo-2-methylphenyl)-5-{(Z)-1-[1-(2-morpholino-2-oxoethyl)-1H-indol-3-yl]methylidene}-2,4,6(1H,3H)-pyrimidinetrione

IUPAC name

(5Z)-1-(4-bromo-2-methylphenyl)-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-13-diazinane-246-trione

SMILES

Cc(cc(cc1)Br)c1N(C(/C(/C(N1)=O)=C\c2cn(CC(N3CCOCC3)=O)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C26H23BrN4O5/c1-16-12-18(27)6-7-21(16)31-25(34)20(24(33)28-26(31)35)13-17-14-30(22-5-3-2-4-19(17)22)15-23(32)29-8-10-36-11-9-29/h2-7,12-14H,8-11,15H2,1H3,(H,28,33,35)

InChI Key

AUMJWOUEQRYYCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02602876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.788

Distribution Coefficient, logD

1.771

Water Solubility, LogSw

-3.10

Polar Surface Area

79.123

Acid Dissociation Constant (pKa)

6.43

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

3657-2512 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3657-2512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3657-2512?
Check Price and Availability of 3657-2512, 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 3657-2512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3657-2512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3657-2512
  • 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 3657-2512 available by request