C260-1185 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2,4-dioxo-1-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide

C260-1185 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2,4-dioxo-1-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide
C260-1185 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2,4-dioxo-1-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1185
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2,4-dioxo-1-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide

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

C260-1185

Molecular Formula

C33H25F3N4O6 (C33 H25 F3 N4 O6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2,4-dioxo-1-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-{[24-dioxo-1-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1234-tetrahydroquinazolin-3-yl]methyl}benzamide

SMILES

O=C(CN(c(cccc1)c1C(N1Cc(cc2)ccc2C(NCc(cc2)cc3c2OCO3)=O)=O)C1=O)Nc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C33H25F3N4O6/c34-33(35,36)23-4-3-5-24(15-23)38-29(41)18-39-26-7-2-1-6-25(26)31(43)40(32(39)44)17-20-8-11-22(12-9-20)30(42)37-16-21-10-13-27-28(14-21)46-19-45-27/h1-15H,16-19H2,(H,37,42)(H,38,41)

InChI Key

ARLQDEWFZFBEMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

630.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.173

Distribution Coefficient, logD

5.173

Water Solubility, LogSw

-5.40

Polar Surface Area

95.945

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.20

C260-1185 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C260-1185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1185?
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What is the minimum amount of C260-1185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1185
  • 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 C260-1185 available by request