Screening compound: XTJAHJAFRXAQHP-UHFFFAOYSA-N

Screening compound: XTJAHJAFRXAQHP-UHFFFAOYSA-N
Screening compound: XTJAHJAFRXAQHP-UHFFFAOYSA-N alternative view

Chemical Structure Depiction of ChemDiv screening compound
XTJAHJAFRXAQHP-UHFFFAOYSA-N

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

C284-0520

Molecular Formula

C27H33N5O5 (C27 H33 N5 O5)

Compound Name

ethyl 4-(6-nitro-4-oxo-2-{[4-(pentan-3-yl)piperazin-1-yl]methyl}-3,4-dihydroquinazolin-3-yl)benzoate

IUPAC name

ethyl 4-(6-nitro-4-oxo-2-{[4-(pentan-3-yl)piperazin-1-yl]methyl}-34-dihydroquinazolin-3-yl)benzoate

SMILES

CCC(CC)N1CCN(CC(N2c(cc3)ccc3C(OCC)=O)=Nc(ccc([N+]([O-])=O)c3)c3C2=O)CC1

InChI

InChI=1S/C27H33N5O5/c1-4-20(5-2)30-15-13-29(14-16-30)18-25-28-24-12-11-22(32(35)36)17-23(24)26(33)31(25)21-9-7-19(8-10-21)27(34)37-6-3/h7-12,17,20H,4-6,13-16,18H2,1-3H3

InChI Key

XTJAHJAFRXAQHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740839

XTJAHJAFRXAQHP-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

Frequently Asked Questions

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